AG002QM9

251458-15-8 | Benzeneacetic acid, 3-bromo-α,α-dimethyl-, methyl ester

AG002QM9

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CAS Number	251458-15-8
Catalog Number	AG002QM9(AGN-PC-04R587)
Chemical Name	Benzeneacetic acid, 3-bromo-α,α-dimethyl-, methyl ester
IUPAC Name	methyl 2-(3-bromophenyl)-2-methylpropanoate
InChI	InChI=1S/C11H13BrO2/c1-11(2,10(13)14-3)8-5-4-6-9(12)7-8/h4-7H,1-3H3
InChI Key	ZTBCOZQPDZZCJO-UHFFFAOYSA-N
MDL Number	MFCD13192201
Molecular Formula	C11H13BrO2
Molecular Weight	257.1237
SMILES	BrC=1C=C(C=CC1)C(C(=O)OC)(C)C
Synonyms	METHYL 2-(3-BROMOPHENYL)-2-METHYLPROPANOATE, 251458-15-8, 2-(3-bromo-phenyl)-2-methyl-propionic acid methyl ester, SCHEMBL1866251, KS-00000BUL, DTXSID40647276, ZTBCOZQPDZZCJO-UHFFFAOYSA-N, 6909AJ, MFCD13192201, ZINC91302551, AKOS024259030, CS-W007008, DS-9405, TRA0086101, AK158873, AM803582, SY029108, AJ-130385, Methyl2-(3-Bromophenyl)-2-methylpropanoate, ST2407112, MFCD13192201 (97%), 2-methyl-2-[3-bromophenyl]propionic acid methyl ester, Benzeneacetic acid, 3-bromo-alpha,alpha-dimethyl-, methyl ester, 3-BROMO-ALPHA,ALPHA-DIMETHYL-BENZENEACETIC ACID METHYL ESTER, C11H13BrO2,

Complexity	213
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	256.01g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	257.127g/mol
Monoisotopic Mass	256.01g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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