AG00I3RG

2012-74-0 | Benzeneacetic acid, 4-chloro-a-(1-methylethyl)-

AG00I3RG

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CAS Number	2012-74-0
Catalog Number	AG00I3RG(AGN-PC-0QS030)
Chemical Name	Benzeneacetic acid, 4-chloro-a-(1-methylethyl)-
EC Number	217-934-1
IUPAC Name	2-(4-chlorophenyl)-3-methylbutanoic acid
InChI	InChI=1S/C11H13ClO2/c1-7(2)10(11(13)14)8-3-5-9(12)6-4-8/h3-7,10H,1-2H3,(H,13,14)
InChI Key	VTJMSIIXXKNIDJ-UHFFFAOYSA-N
MDL Number	MFCD00037763
Molecular Formula	C11H13ClO2
Molecular Weight	212.6727
SMILES	CC(C)C(c1ccc(cc1)Cl)C(=O)O
Synonyms	2012-74-0, 2-(4-Chlorophenyl)-3-methylbutanoic acid, alpha-isopropyl-4-chlorophenylacetic acid, 2-(p-Chlorophenyl)-3-methylbutyric acid, 2-(4-Chlorophenyl)-3-methylbutyric acid, alpha-Isopropyl-p-chlorophenylacetic acid, EINECS 217-934-1, 2-(4-Chloro-phenyl)-3-methylbutyric acid, CHEMBL593203, 2-(4-Chloro-phenyl)-3-methyl-butyric acid, CHEBI:39345, VTJMSIIXXKNIDJ-UHFFFAOYSA-N, Benzeneacetic acid, 4-chloro-alpha-(1-methylethyl)-, BUTYRIC ACID, 2-(p-CHLOROPHENYL)-3-METHYL-, Benzeneacetic acid, 4-chloro-.alpha.-(1-methylethyl)-, .alpha.-(p-Chlorophenyl)isovaleric acid, 2-(p-chlorophenyl)-3-methyl-butyric acid, AK106980, (RS)-Fenvaleric acid, ACMC-1CMZE, Enamine_004948, Fenvalerate (free acid), SCHEMBL68169, KSC496G7B, AC1L27G8, Jsp004113, CTK3J6370, KS-00000GBK, 2-(4-chlorophenyl)isovaleric acid, HMS1408A20, a-Isopropyl-4-chlorophenylaceticacid, isopropyl(4-chlorophenyl)acetic acid, ANW-72193, BDBM50305939, MFCD00037763, SBB008321, alpha-(p-Chlorophenyl)isovaleric acid, AKOS001063747, AKOS016843430, FR-1226, MCULE-7165922745, RTR-009373, IDI1_007535, NCGC00329284-01, 2-(4-chlorophenyl)3-methyl butyric acid, 2-isopropyl-2-p-chlorophenyl-acetic acid, 4-Chloro-alpha-isopropylbenzeneacetic acid, AK-49543, AN-38980, AS-16160, LS-47923, S829, 2-(4-chlorophenyl)-3-methyl-butyric acid, 2-(4-chlorophenyl)-3-methyl-butanoic acid, DB-045102, TR-009373, 2-(4-Chlorophenyl)-3-methylbutanoic acid #, 4CH-008768, 4CH-024335, CS-0015834, FT-0608888, ST24039425, ST50320167, rac-2-(4-chlorophenyl)-3-methylbutanoic acid, A23954, Z-4919, 2-(4-Chlorophenyl)-3-methylbutyric acid, 96%, 4-chloro-alpha-(1-methylethyl)benzeneacetic acid, AB00633355-03, 012I740, 4-chloro-alpha-(1-methyl-ethyl)benzeneacetic acid, Benzeneacetic acid, 4-chloro-a-(1-methylethyl)-, SR-01000039639, SR-01000039639-1, W-107646, Z56887655, C11H13ClO2, 5-bromo-3-phenylpyrazin-2-amine, C11-H13-Cl-O2, (S)-2-(4-Chlorophenyl)-3-methylbutanoic acid, CID16197, a-Isopropyl-4-chlorophenylacetic acid, (R)-2-(4-Chlorophenyl)-3-methylbutanoic acid, 2-(4-Chlorophenyl)-3-methylbutyricacid, 2-(4-Chloro-phenyl)-3-methylbutyricacid, C2741, (2R)-2-(4-chlorophenyl)-3-methylbutanoic acid, (2S)-2-(4-chlorophenyl)-3-methylbutanoic acid, 55332-38-2, 63640-09-5, (R)-2-(4-CHLOROPHENYL)-3-METHYLBUTYRIC ACID, (R)-2-(4-CHLORO-PHENYL)-3-METHYL-BUTYRIC ACID, 344940-70-1,

Complexity	196
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	212.06g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	212.673g/mol
Monoisotopic Mass	212.06g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	3.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number