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157729-41-4 | Benzoic acid, 4-(2,2-dibromoethenyl)-, ethyl ester
CAS No: 157729-41-4 Catalog No: AG001PNP MDL No:
Product Description
Catalog Number:
AG001PNP
Chemical Name:
Benzoic acid, 4-(2,2-dibromoethenyl)-, ethyl ester
CAS Number:
157729-41-4
Molecular Formula:
C11H10Br2O2
Molecular Weight:
334.0039
IUPAC Name:
ethyl 4-(2,2-dibromoethenyl)benzoate
InChI:
InChI=1S/C11H10Br2O2/c1-2-15-11(14)9-5-3-8(4-6-9)7-10(12)13/h3-7H,2H2,1H3
InChI Key:
OHEOTBARJZLYCG-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1)C=C(Br)Br
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.903g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
334.007g/mol
Monoisotopic Mass:
331.905g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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