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183593-80-8 | 2-Propenoic acid, 3-(4-bromophenyl)-3-phenyl-, ethyl ester, (2E)-
CAS No: 183593-80-8 Catalog No: AG0027Q5 MDL No:
Product Description
Catalog Number:
AG0027Q5
Chemical Name:
2-Propenoic acid, 3-(4-bromophenyl)-3-phenyl-, ethyl ester, (2E)-
CAS Number:
183593-80-8
Molecular Formula:
C17H15BrO2
Molecular Weight:
331.2038
IUPAC Name:
ethyl 3-(4-bromophenyl)-3-phenylprop-2-enoate
InChI:
InChI=1S/C17H15BrO2/c1-2-20-17(19)12-16(13-6-4-3-5-7-13)14-8-10-15(18)11-9-14/h3-12H,2H2,1H3
InChI Key:
AFSCKQRWWSLJRZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)/C=C(/c1ccc(cc1)Br)\c1ccccc1
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.026g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
331.209g/mol
Monoisotopic Mass:
330.026g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.1
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