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14473-91-7 | 2-Propenoic acid, 3-(3-bromophenyl)-, (2E)-
CAS No: 14473-91-7 Catalog No: AG001K2O MDL No:MFCD00004382
Product Description
Catalog Number:
AG001K2O
Chemical Name:
2-Propenoic acid, 3-(3-bromophenyl)-, (2E)-
CAS Number:
14473-91-7
Molecular Formula:
C9H7BrO2
Molecular Weight:
227.0547
MDL Number:
MFCD00004382
IUPAC Name:
(E)-3-(3-bromophenyl)prop-2-enoic acid
InChI:
InChI=1S/C9H7BrO2/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6H,(H,11,12)/b5-4+
InChI Key:
YEMUSDCFQUBPAL-SNAWJCMRSA-N
SMILES:
OC(=O)/C=C/c1cccc(c1)Br
EC Number:
251-267-7
NSC Number:
102779
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
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:
0
XLogP3:
2.6
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