AG000RW7

1261618-03-4 | Benzeneacetic acid, 3-bromo-2-methyl-

AG000RW7

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CAS Number	1261618-03-4
Catalog Number	AG000RW7(AGN-PC-0IGKV5)
Chemical Name	Benzeneacetic acid, 3-bromo-2-methyl-
IUPAC Name	2-(3-bromo-2-methylphenyl)acetic acid
InChI	InChI=1S/C9H9BrO2/c1-6-7(5-9(11)12)3-2-4-8(6)10/h2-4H,5H2,1H3,(H,11,12)
InChI Key	BENXZZOWZYNPLT-UHFFFAOYSA-N
MDL Number	MFCD18392222
Molecular Formula	C9H9BrO2
Molecular Weight	229.0706
SMILES	O=C(O)CC1=CC=CC(Br)=C1C
Synonyms	2-(3-bromo-2-methylphenyl)acetic acid, 1261618-03-4, 3-BROMO-2-METHYLPHENYLACETIC ACID, SCHEMBL6244907, (3-Bromo-2-methylphenyl)acetic acid, MFCD18392222, ZINC84506919, AKOS023446079, Benzeneacetic acid, 3-bromo-2-methyl-, MCULE-3966704137, NE28157, AS-46313, Z1834265901,

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-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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