AG0039H6

854646-94-9 | 2-(5-Bromo-2-methylphenyl)acetic acid

AG0039H6

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CAS Number	854646-94-9
Catalog Number	AG0039H6(AGN-PC-0WAIYF)
Chemical Name	2-(5-Bromo-2-methylphenyl)acetic acid
IUPAC Name	2-(5-bromo-2-methylphenyl)acetic acid
InChI	InChI=1S/C9H9BrO2/c1-6-2-3-8(10)4-7(6)5-9(11)12/h2-4H,5H2,1H3,(H,11,12)
InChI Key	KZGAACARPAMSTO-UHFFFAOYSA-N
MDL Number	MFCD11840270
Molecular Formula	C9H9BrO2
Molecular Weight	229.0706
SMILES	BrC=1C=CC(=C(C1)CC(=O)O)C
Synonyms	2-(5-bromo-2-methylphenyl)acetic acid, 854646-94-9, (5-Bromo-2-methylphenyl)acetic acid, 5-BROMO-2-METHYLPHENYLACETIC ACID, Benzeneacetic acid, 5-bromo-2-methyl-, SCHEMBL2351513, CTK6B9542, KS-00000QXO, DTXSID20679676, KZGAACARPAMSTO-UHFFFAOYSA-N, ACT14322, 0773AF, 0774AF, CL9128, MFCD11840270, SBB052738, ZINC40447880, AKOS016012962, CS-W021418, AK126443, SC-88176, TS-03245, AJ-102537, ST2409346, 4CH-016482, X-1272, Z1269235842, C9H9BrO2, C10H15ClN2, 2-(5-bromo-2-methylphenyl)aceticacid, 5-Bromo-2-methylbenzeneacetic acid, ACN-052091, N-(2-amino-2-methylpropyl)-N-(3-chlorophenyl)amine, 854650-27-4,

Complexity	170
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	227.979g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	229.073g/mol
Monoisotopic Mass	227.979g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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