AG003ETB

81606-47-5 | 2-(3-Bromophenyl)-2-methylpropanoic acid

AG003ETB

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CAS Number	81606-47-5
Catalog Number	AG003ETB(AGN-PC-0NKD1M)
Chemical Name	2-(3-Bromophenyl)-2-methylpropanoic acid
EC Number	617-247-0
IUPAC Name	2-(3-bromophenyl)-2-methylpropanoic acid
InChI	InChI=1S/C10H11BrO2/c1-10(2,9(12)13)7-4-3-5-8(11)6-7/h3-6H,1-2H3,(H,12,13)
InChI Key	PZQVCFYGWRPVLE-UHFFFAOYSA-N
MDL Number	MFCD31731200
Molecular Formula	C10H11BrO2
Molecular Weight	243.0971
SMILES	CC(C)(C1=CC=CC(Br)=C1)C(O)=O
Synonyms	2-(3-bromophenyl)-2-methylpropanoic acid, 81606-47-5, ACMC-209plw, AC1Q1LIF, SCHEMBL826639, CTK5E8940, KS-00000CYN, DTXSID90510289, OTAVA-BB 1287281, PZQVCFYGWRPVLE-UHFFFAOYSA-N, ANW-37458, MFCD11036929, ZINC33487185, AKOS010213745, LS11347, MCULE-7429045317, RL05122, TRA0071752, 2-(3-Bromophenyl)-2-methylpropanoicAcid, AJ-86139, AK106577, SY031208, 2-(3-bromophenyl)-2-methylpropionic acid, Benzeneacetic acid, 3-bromo-a,a-dimethyl-, 2-(3-bromophenyl)-2-methyl-propanoic acid, AB0051775, ST2416070, TR-037899, 2-(3-bromo-phenyl)-2-methyl-propionic acid, 4CH-012288, Z5153, EN300-64755, MFCD11036929 (95%), B-4790, A840169, I04-1815, J-505763, Z1259161914, C10H11BrO2, CS-4143,

Complexity	201
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	241.994g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	243.1g/mol
Monoisotopic Mass	241.994g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

Lot Number