AG003RP9

50603-99-1 | Methyl 3-(1-Bromoethyl)benzoate

AG003RP9

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CAS Number	50603-99-1
Catalog Number	AG003RP9(AGN-PC-02TG49)
Chemical Name	Methyl 3-(1-Bromoethyl)benzoate
IUPAC Name	methyl 3-(1-bromoethyl)benzoate
InChI	InChI=1S/C10H11BrO2/c1-7(11)8-4-3-5-9(6-8)10(12)13-2/h3-7H,1-2H3
InChI Key	BCYFMMWUMUICEQ-UHFFFAOYSA-N
MDL Number	MFCD26937555
Molecular Formula	C10H11BrO2
Molecular Weight	243.0971
SMILES	O=C(OC)C1=CC=CC(C(Br)C)=C1
Synonyms	methyl 3-(1-bromoethyl)benzoate, 50603-99-1, SCHEMBL243660, Methyl3-(1-Bromoethyl)benzoate, BCYFMMWUMUICEQ-UHFFFAOYSA-N, KS-00000BT1, 6973AJ, MFCD26937555, AKOS025244001, FCH2422236, TRA0044267, AK175269, AS-32620, SY026627, FT-0760992, rac-Methyl 3-(1-bromoethyl)benzenecarboxylate, MFCD26937555 (95+%), C10H11BrO2,

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	1
Undefined Bond Stereocenter Count	0
XLogP3	3.4

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 3265

Certificate of Analysis

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