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15894-30-1 | 2-Propenoic acid, 2-bromo-3-phenyl-, (2E)-
CAS No: 15894-30-1 Catalog No: AG001R1F MDL No:
Product Description
Catalog Number:
AG001R1F
Chemical Name:
2-Propenoic acid, 2-bromo-3-phenyl-, (2E)-
CAS Number:
15894-30-1
Molecular Formula:
C9H7BrO2
Molecular Weight:
227.0547
IUPAC Name:
2-bromo-3-phenylprop-2-enoic acid
InChI:
InChI=1S/C9H7BrO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-6H,(H,11,12)
InChI Key:
HBMGEXMZDMAEDN-UHFFFAOYSA-N
SMILES:
Br/C(=C/c1ccccc1)/C(=O)O
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.963g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.057g/mol
Monoisotopic Mass:
225.963g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.8
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