AG001RTT

160313-69-9 | Benzoic acid, 4-bromo-3-methyl-, ethyl ester

AG001RTT

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CAS Number	160313-69-9
Catalog Number	AG001RTT(AGN-PC-03ELXC)
Chemical Name	Benzoic acid, 4-bromo-3-methyl-, ethyl ester
EC Number	605-204-9
IUPAC Name	ethyl 4-bromo-3-methylbenzoate
InChI	InChI=1S/C10H11BrO2/c1-3-13-10(12)8-4-5-9(11)7(2)6-8/h4-6H,3H2,1-2H3
InChI Key	GIGDAWLJINYIFV-UHFFFAOYSA-N
MDL Number	MFCD00673007
Molecular Formula	C10H11BrO2
Molecular Weight	243.0971
SMILES	CCOC(=O)C1=CC(C)=C(Br)C=C1
Synonyms	Ethyl 4-bromo-3-methylbenzoate, 160313-69-9, Ethyl4-Bromo-3-Methylbenzoate, Benzoic acid, 4-bromo-3-methyl-, ethyl ester, 4-bromo-3-methylbenzoic acid ethyl ester, 4-BROMO-3-METHYL-BENZOIC ACID ETHYL ESTER, Ethyl 4-Bromo-m-toluate, SCHEMBL137202, ethyl 3-methyl-4-bromobenzoate, CTK4D0408, ethyl 4-bromo-3-methyl-benzoate, DTXSID70617442, GIGDAWLJINYIFV-UHFFFAOYSA-N, 4-Bromo-m-toluic Acid Ethyl Ester, BCP24567, ZINC2568098, ANW-58796, CE-488, MFCD00673007, AKOS015890337, AC-7747, AN-8686, AS03603, 3-Methyl-4-bromobenzoic acid ethyl ester, AJ-41563, AS-11346, CJ-09836, 4-bromo-3 methyl benzoic acid ethyl ester, 4-bromo-3-methyl benzoic acid ethyl ester, AB0009700, TC-147541, TL8007245, E1036, FT-0660039, M-1690, I01-5778, C10H11BrO2, A3546,

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	H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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