AG001FC1

147962-81-0 | Benzoic acid, 3-bromo-4-methyl-, ethyl ester

AG001FC1

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CAS Number	147962-81-0
Catalog Number	AG001FC1(AGN-PC-0032MO)
Chemical Name	Benzoic acid, 3-bromo-4-methyl-, ethyl ester
IUPAC Name	ethyl 3-bromo-4-methylbenzoate
InChI	InChI=1S/C10H11BrO2/c1-3-13-10(12)8-5-4-7(2)9(11)6-8/h4-6H,3H2,1-2H3
InChI Key	ILZQYNXOOLMOGA-UHFFFAOYSA-N
MDL Number	MFCD11042852
Molecular Formula	C10H11BrO2
Molecular Weight	243.0971
SMILES	O=C(OCC)C1=CC=C(C)C(Br)=C1
Synonyms	Ethyl 3-bromo-4-methylbenzoate, 147962-81-0, 3-bromo-4-methylbenzoic acid ethyl ester, Benzoic acid, 3-bromo-4-methyl-, ethyl ester, Benzoic acid,3-bromo-4-methyl-, ethyl ester, ACMC-1BZ53, SCHEMBL670944, CTK4C5642, DTXSID60565862, ILZQYNXOOLMOGA-UHFFFAOYSA-N, ethyl 3-bromanyl-4-methyl-benzoate, MFCD11042852, ZINC21303565, AKOS015843454, AS03602, FS-4502, MB09092, AJ-78444, 3-Bromo-4-methyl-benzoic acid ethyl ester, DB-063743, TC-067201, TL8007241, FT-0658950, A808715, 6-Fluoro-1-indanone, Ethyl3-bromo-4-methylbenzoate,

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	3.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number