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102540-15-8 | 2-Propenoic acid, 3-(2-bromophenyl)-, methyl ester
CAS No: 102540-15-8 Catalog No: AG0007NZ MDL No:
Product Description
Catalog Number:
AG0007NZ
Chemical Name:
2-Propenoic acid, 3-(2-bromophenyl)-, methyl ester
CAS Number:
102540-15-8
Molecular Formula:
C10H9BrO2
Molecular Weight:
241.0813
IUPAC Name:
methyl (E)-3-(2-bromophenyl)prop-2-enoate
InChI:
InChI=1S/C10H9BrO2/c1-13-10(12)7-6-8-4-2-3-5-9(8)11/h2-7H,1H3/b7-6+
InChI Key:
YIHZPTVKKKVMHT-VOTSOKGWSA-N
SMILES:
COC(=O)C=Cc1ccccc1Br
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
239.979g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.084g/mol
Monoisotopic Mass:
239.979g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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