AG00II3K

943742-86-7 | Ethyl 2-(4-bromophenyl)butanoate

AG00II3K

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CAS Number	943742-86-7
Catalog Number	AG00II3K(AGN-PC-0WCYJV)
Chemical Name	Ethyl 2-(4-bromophenyl)butanoate
IUPAC Name	ethyl 2-(4-bromophenyl)butanoate
InChI	InChI=1S/C12H15BrO2/c1-3-11(12(14)15-4-2)9-5-7-10(13)8-6-9/h5-8,11H,3-4H2,1-2H3
InChI Key	KHXAGVUSSBZVJS-UHFFFAOYSA-N
MDL Number	MFCD23096930
Molecular Formula	C12H15BrO2
Molecular Weight	271.1503
SMILES	CCC(C1=CC=C(Br)C=C1)C(OCC)=O
Synonyms	ethyl 2-(4-bromophenyl)butanoate, 943742-86-7, SCHEMBL6293, KS-00000LAB, Ethyl 2-(4-Bromophenyl)butyrate, KHXAGVUSSBZVJS-UHFFFAOYSA-N, MFCD23096930, AK323766, DS-11375, 2-(4-Bromophenyl)butyric acid ethyl ester, 2-(4-bromophenyl)butanoic acid ethyl ester, 2-(4-Bromo-phenyl)-butyric acid ethyl ester, 4-bromo-|A-ethyl-benzeneacetic acid ethyl ester, Benzeneacetic acid, 4-bromo-alpha-ethyl-, ethyl ester,

Complexity	198
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	270.026g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	271.154g/mol
Monoisotopic Mass	270.026g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	3.7

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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