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197313-84-1 | 2,4-Pentadienoic acid, 2-bromo-5-phenyl-, ethyl ester, (2Z,4E)-
CAS No: 197313-84-1 Catalog No: AG002AQQ MDL No:
Product Description
Catalog Number:
AG002AQQ
Chemical Name:
2,4-Pentadienoic acid, 2-bromo-5-phenyl-, ethyl ester, (2Z,4E)-
CAS Number:
197313-84-1
Molecular Formula:
C13H13BrO2
Molecular Weight:
281.1451
IUPAC Name:
ethyl 2-bromo-5-phenylpenta-2,4-dienoate
InChI:
InChI=1S/C13H13BrO2/c1-2-16-13(15)12(14)10-6-9-11-7-4-3-5-8-11/h3-10H,2H2,1H3
InChI Key:
GBWHSKURMDEJBC-UHFFFAOYSA-N
SMILES:
CCOC(=O)/C(=C/C=C/c1ccccc1)/Br
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.01g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.149g/mol
Monoisotopic Mass:
280.01g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
4.1
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