AG00IB03

622847-32-9 | Methyl 2-(bromomethyl)-4-methylbenzoate

AG00IB03

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CAS Number	622847-32-9
Catalog Number	AG00IB03(AGN-PC-0A6JSG)
Chemical Name	Methyl 2-(bromomethyl)-4-methylbenzoate
IUPAC Name	methyl 2-(bromomethyl)-4-methylbenzoate
InChI	InChI=1S/C10H11BrO2/c1-7-3-4-9(10(12)13-2)8(5-7)6-11/h3-5H,6H2,1-2H3
InChI Key	WHOZAPAPEBTBCC-UHFFFAOYSA-N
MDL Number	MFCD25965469
Molecular Formula	C10H11BrO2
Molecular Weight	243.0971
SMILES	O=C(OC)C1=CC=C(C)C=C1CBr
Synonyms	622847-32-9, 2-bromomethyl-4-methyl-benzoic acid methyl ester, Methyl 2-(bromomethyl)-4-methylbenzoate, SCHEMBL6393653, AKOS025291292, ZINC166332417, FCH2416522, SB21867, KS-0000083L, AK171812, AS-51976, Methyl 2-(bromomethyl)-4-methyl-benzoate, CS-0051986, Benzoic acid, 2-(bromomethyl)-4-methyl-, methyl ester,

Complexity	182
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	241.99424g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	243.1g/mol
Monoisotopic Mass	241.99424g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	26.3Ų
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H302-H314
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 1759

Certificate of Analysis

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