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116763-59-8 | 2-Propenoic acid, 2,4-dibromophenyl ester
CAS No: 116763-59-8 Catalog No: AG000D7H MDL No:
Product Description
Catalog Number:
AG000D7H
Chemical Name:
2-Propenoic acid, 2,4-dibromophenyl ester
CAS Number:
116763-59-8
Molecular Formula:
C9H6Br2O2
Molecular Weight:
305.9507
IUPAC Name:
(2,4-dibromophenyl) prop-2-enoate
InChI:
InChI=1S/C9H6Br2O2/c1-2-9(12)13-8-4-3-6(10)5-7(8)11/h2-5H,1H2
InChI Key:
KVJDDEUARPLINY-UHFFFAOYSA-N
SMILES:
C=CC(=O)Oc1ccc(cc1Br)Br
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.871g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
305.953g/mol
Monoisotopic Mass:
303.873g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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