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4-Chloro-2-fluorocinnamic acid, predominantly trans

4-Chloro-2-fluorocinnamic acid, predominantly trans - CAS 312693-55-3

Catalog:	BB020852
Product Name:	4-Chloro-2-fluorocinnamic acid, predominantly trans
CAS:	312693-55-3
Synonyms:	(E)-3-(4-chloro-2-fluorophenyl)prop-2-enoic acid

Technical Data

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Patents

Computed Properties

IUPAC Name:	(E)-3-(4-chloro-2-fluorophenyl)prop-2-enoic acid
Description:	4-Chloro-2-fluorocinnamic acid, predominantly trans (CAS# 312693-55-3 ) is a useful research chemical.
Molecular Weight:	200.59
Molecular Formula:	C9H6ClFO2
Canonical SMILES:	C1=CC(=C(C=C1Cl)F)C=CC(=O)O
InChI:	InChI=1S/C9H6ClFO2/c10-7-3-1-6(8(11)5-7)2-4-9(12)13/h1-5H,(H,12,13)/b4-2+
InChI Key:	FVLPOWWRHAOKMT-DUXPYHPUSA-N
Boiling Point:	316.4 ℃ at 760 mmHg
Density:	1.42 g/cm³
MDL:	MFCD00143287
LogP:	2.57690

Publication Number	Title	Priority Date
US-11124497-B1	Inhibitors of cysteine proteases and methods of use thereof	20200417
EP-3704111-A1	Heterocyclic mitochondrial activity inhibitors and uses thereof	20171103
CN-106831614-B	Substituted benzodiazacyclo compound and its preparation method and use	20170109
CN-106748725-B	preparation method of 4-chloro-2-fluoro-phenylpropionic acid	20161117
EP-2900669-B1	Hexahydropyrrolo[3,4-c]pyrrole derivatives and related compounds as autotaxin (atx) inhibitors and as inhibitors of the lysophosphatidic acid (lpa) production for treating e.g. renal diseases	20120925

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[87-88-7]
Chloranilic acid
[1427004-19-0]
DBCO-PEG4-NHS ester
[17746-05-3]
Undecanoyl chloride
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid

Fluorinated Building Blocks

[2367-82-0]
1,2,3,5-Tetrafluorobenzene
[479552-94-8]
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
[452-76-6]
2,4-Difluorotoluene
[151585-93-2]
2-Amino-6-fluorobenzaldehyde

Other Pyrimidines

[452-76-6]
2,4-Difluorotoluene
[1597-32-6]
2-Amino-6-fluoropyridine
[150517-77-4]
3-Fluoro-5-(trifluoromethyl)benzylamine
[13566-71-7]
4(3H)-Pyrimidinone,6-hydroxy-2-phenyl-
[927800-47-3]
4-Chloro-6-fluoro-2-trichloromethyl-quinoline
[1160246-50-3]
2-((4-(P-Tolyl)-6-(trifluoromethyl)pyrimidin-2-yl)oxy)ethanamine

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	218
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	200.0040353
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	200.0040353
Rotatable Bond Count:	2
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6