AG0039YK

215949-57-8 | 2-(4-Bromo-3-methylphenyl)acetic acid

AG0039YK

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CAS Number	215949-57-8
Catalog Number	AG0039YK(AGN-PC-0WAMO2)
Chemical Name	2-(4-Bromo-3-methylphenyl)acetic acid
IUPAC Name	2-(4-bromo-3-methylphenyl)acetic acid
InChI	InChI=1S/C9H9BrO2/c1-6-4-7(5-9(11)12)2-3-8(6)10/h2-4H,5H2,1H3,(H,11,12)
InChI Key	LHFFNLRLDVODNC-UHFFFAOYSA-N
MDL Number	MFCD02664811
Molecular Formula	C9H9BrO2
Molecular Weight	229.0706
SMILES	O=C(O)CC1=CC=C(Br)C(C)=C1
Synonyms	2-(4-bromo-3-methylphenyl)acetic acid, 215949-57-8, 4-BROMO-3-METHYLPHENYLACETIC ACID, (4-Bromo-3-methylphenyl)acetic acid, 4-Bromo-3-methylbenzeneacetic acid, PubChem24119, AC1MU6JZ, SCHEMBL4944685, CTK7J2264, KS-00000HWT, DTXSID60394210, LHFFNLRLDVODNC-UHFFFAOYSA-N, OTAVA-BB 1312812, ACT09039, ZINC3750849, ANW-52857, CL8787, MFCD02664811, SBB052713, AKOS002392944, AS00510, CS-W006038, AJ-45540, AK-94397, BC005012, SC-65970, TS-03252, AB0030478, DB-010029, TC-141602, 4CH-008753, FT-0715334, ST24027536, X2676, X-3591, C9H9BrO2, ACN-040314, CID3613522, 2-(4-bromo-3-methyl-phenyl)acetic Acid,

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-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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