AG007WYA

151583-29-8 | Methyl 3-(3-bromophenyl)propanoate

AG007WYA

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CAS Number	151583-29-8
Catalog Number	AG007WYA(AGN-PC-030DFN)
Chemical Name	Methyl 3-(3-bromophenyl)propanoate
IUPAC Name	methyl 3-(3-bromophenyl)propanoate
InChI	InChI=1S/C10H11BrO2/c1-13-10(12)6-5-8-3-2-4-9(11)7-8/h2-4,7H,5-6H2,1H3
InChI Key	DJJHVPBMUQLOCB-UHFFFAOYSA-N
MDL Number	MFCD11855856
Molecular Formula	C10H11BrO2
Molecular Weight	243.0971
SMILES	O=C(OC)CCC1=CC=CC(Br)=C1
Synonyms	METHYL 3-(3-BROMOPHENYL)PROPANOATE, 151583-29-8, Methyl 3-(3-bromophenyl)propionate, Benzenepropanoic acid, 3-bromo-, methyl ester, Intermediates-ZCF02159, ACMC-209d6j, SCHEMBL6378, CTK4C7119, DTXSID60609957, DJJHVPBMUQLOCB-UHFFFAOYSA-N, WT359, BCP09559, ANW-21353, MFCD11855856, ZINC38537487, AKOS015834656, CM13748, RTR-006225, 3-bromoBenzenepropanoic acid methyl ester, AJ-96144, AK-83017, CJ-19473, DS-17091, Methyl 3-(3-bromophenyl)propionate, 97%, DB-020846, ST2407172, TR-006225, 4CH-002527, Benzenepropanoic acid,3-bromo-, methyl ester, FT-0738484, W3312, 3-(3-Bromophenyl)propionic acid methyl ester, B-3240, 3-(3-Bromo-phenyl)-propionic Acid Methyl Ester, 151583-29-8 methyl 3-(3-bromophenyl)propanoate, I01-9209, C10H11BrO2,

Complexity	170
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	4
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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