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1-(4-Bromo-3-fluorophenyl)cyclopropanecarboxylic Acid

1-(4-Bromo-3-fluorophenyl)cyclopropanecarboxylic Acid - CAS 749269-74-7

Catalog:	BB035192
Product Name:	1-(4-Bromo-3-fluorophenyl)cyclopropanecarboxylic Acid
CAS:	749269-74-7
Synonyms:	1-(4-bromo-3-fluorophenyl)-1-cyclopropanecarboxylic acid; 1-(4-bromo-3-fluorophenyl)cyclopropane-1-carboxylic acid

Technical Data

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Patents

Computed Properties

IUPAC Name:	1-(4-bromo-3-fluorophenyl)cyclopropane-1-carboxylic acid
Description:	1-(4-Bromo-3-fluorophenyl)cyclopropanecarboxylic Acid (CAS# 749269-74-7) is a useful research chemical.
Molecular Weight:	259.07
Molecular Formula:	C10H8BrFO2
Canonical SMILES:	C1CC1(C2=CC(=C(C=C2)Br)F)C(=O)O
InChI:	InChI=1S/C10H8BrFO2/c11-7-2-1-6(5-8(7)12)10(3-4-10)9(13)14/h1-2,5H,3-4H2,(H,13,14)
InChI Key:	WKVFGGQPVGDERD-UHFFFAOYSA-N
LogP:	2.70440

Publication Number	Title	Priority Date
CN-110590548-A	AKR1C3 inhibitor or pharmaceutically acceptable salt thereof, preparation method and application thereof	20190906
CN-110590548-B	AKR1C3 inhibitor or pharmaceutically acceptable salt thereof, preparation method and application thereof	20190906
WO-2021042411-A1	Akr1c3 inhibitor or pharmaceutically acceptable salt of same, preparation method for same, and uses thereof	20190906
WO-2020102576-A1	Compounds and compositions for treating conditions associated with nlrp activity	20181116
WO-2019246109-A1	Heterocyclic compounds useful in the treatment of disease	20180618

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	253
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	257.96917
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	257.96917
Rotatable Bond Count:	2
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5