Ethyl 3-(4-Bromophenyl)propanoate - CAS 40640-98-0

Catalog:	BB024602
Product Name:	Ethyl 3-(4-Bromophenyl)propanoate
CAS:	40640-98-0
Synonyms:	3-(4-bromophenyl)propanoic acid ethyl ester; ethyl 3-(4-bromophenyl)propanoate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl 3-(4-bromophenyl)propanoate
Description:	Ethyl 3-(4-Bromophenyl)propanoate (CAS# 40640-98-0) is a useful research chemical.
Molecular Weight:	257.12
Molecular Formula:	C11H13BrO2
Canonical SMILES:	CCOC(=O)CCC1=CC=C(C=C1)Br
InChI:	InChI=1S/C11H13BrO2/c1-2-14-11(13)8-5-9-3-6-10(12)7-4-9/h3-4,6-7H,2,5,8H2,1H3
InChI Key:	STMHGPFYLQOGJD-UHFFFAOYSA-N
Boiling Point:	303.4 °C at 760 mmHg
Density:	1.343 g/cm³
Appearance:	Yellow to brown liquid
MDL:	MFCD07772961
LogP:	2.94480

Publication Number	Title	Priority Date
CN-111087306-A	Method for preparing organic carboxylic ester by aryl bidentate phosphine ligand combined catalysis	20191227
CN-111087306-B	Method for preparing organic carboxylic ester by aryl bidentate phosphine ligand combined catalysis	20191227
EP-3044216-A2	Novel and specific inhibitors of cytochrome p450 26 retinoic acid hydroxylase	20130820
US-2016200703-A1	Novel and specific inhibitors of cytochrome p450 26 retinoic acid hydroxylase	20130820
US-9963439-B2	Specific inhibitors of cytochrome P450 26 retinoic acid hydroxylase	20130820

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[1427004-19-0]
DBCO-PEG4-NHS ester
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid
[927676-51-5]
2-(6-Bromo-3-indolyl)-2-oxoacetic Acid

Complexity:	174
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	256.00989
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	256.00989
Rotatable Bond Count:	5
Topological Polar Surface Area:	26.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.4