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131061-14-8 | 2-Propenoic acid, 3-(4-bromophenyl)-, butyl ester, (2E)-
CAS No: 131061-14-8 Catalog No: AG000VGG MDL No:
Product Description
Catalog Number:
AG000VGG
Chemical Name:
2-Propenoic acid, 3-(4-bromophenyl)-, butyl ester, (2E)-
CAS Number:
131061-14-8
Molecular Formula:
C13H15BrO2
Molecular Weight:
283.1610
IUPAC Name:
butyl 3-(4-bromophenyl)prop-2-enoate
InChI:
InChI=1S/C13H15BrO2/c1-2-3-10-16-13(15)9-6-11-4-7-12(14)8-5-11/h4-9H,2-3,10H2,1H3
InChI Key:
PIQCRXRHGULAGW-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)/C=C/c1ccc(cc1)Br
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.026g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.165g/mol
Monoisotopic Mass:
282.026g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.1
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