AG00FC2O

74733-28-1 | Methyl 4-(bromomethyl)-2-methylbenzoate

AG00FC2O

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CAS Number	74733-28-1
Catalog Number	AG00FC2O(AGN-PC-02C8UU)
Chemical Name	Methyl 4-(bromomethyl)-2-methylbenzoate
IUPAC Name	methyl 4-(bromomethyl)-2-methylbenzoate
InChI	InChI=1S/C10H11BrO2/c1-7-5-8(6-11)3-4-9(7)10(12)13-2/h3-5H,6H2,1-2H3
InChI Key	MABHQNNTZZMWCU-UHFFFAOYSA-N
MDL Number	MFCD27928283
Molecular Formula	C10H11BrO2
Molecular Weight	243.0971
SMILES	O=C(OC)C1=CC=C(CBr)C=C1C
Synonyms	methyl 4-(bromomethyl)-2-methylbenzoate, 74733-28-1, methyl4-(bromomethyl)-2-methylbenzoate, Benzoic acid, 4-(bromomethyl)-2-methyl-, methyl ester, SCHEMBL365955, MABHQNNTZZMWCU-UHFFFAOYSA-N, CS-D0534, KS-00000BY7, methyl 4-(bromomethyl)methylbenzoate, MFCD27928283, 4-Carbomethoxy-3-methylbenzyl bromide, ZINC113667995, FCH2498468, AK174042, AS-40810, SY046067, MFCD27928283 (95%), 4-bromomethyl-2-methyl-benzoic acid methyl ester, 2-Methyl-4-(bromomethyl)benzoic acid 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	241.994g/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	241.994g/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	H302-H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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