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[2-(2-Bromophenyl)-1,3-thiazol-4-yl]acetic acid

[2-(2-Bromophenyl)-1,3-thiazol-4-yl]acetic acid - CAS 1094456-17-3

Catalog:	BB071258
Product Name:	[2-(2-Bromophenyl)-1,3-thiazol-4-yl]acetic acid
CAS:	1094456-17-3
Synonyms:	[2-(2-Bromophenyl)-1,3-thiazol-4-yl]acetic acid; 2-[2-(2-bromophenyl)-1,3-thiazol-4-yl]acetic acid; 2-(2-(2-Bromophenyl)thiazol-4-yl)acetic acid; 2-(2-(2-Bromophenyl)thiazol-4-yl)aceticacid

Technical Data

Computed Properties

IUPAC Name:	2-[2-(2-bromophenyl)-1,3-thiazol-4-yl]acetic acid
Description:	[2-(2-Bromophenyl)-1,3-thiazol-4-yl]acetic acid
Molecular Weight:	298.15
Molecular Formula:	C11H8BrNO2S
Canonical SMILES:	C1=CC=C(C(=C1)C2=NC(=CS2)CC(=O)O)Br
InChI:	InChI=1S/C11H8BrNO2S/c12-9-4-2-1-3-8(9)11-13-7(6-16-11)5-10(14)15/h1-4,6H,5H2,(H,14,15)
InChI Key:	DHHVQRALNUQHBU-UHFFFAOYSA-N

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Complexity:	264
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	296.94591
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	296.94591
Rotatable Bond Count:	3
Topological Polar Surface Area:	78.4Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8