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167995-88-2 | 2-Propenoic acid, 3-(4-bromophenyl)-2-cyano-, methyl ester
CAS No: 167995-88-2 Catalog No: AG001XQ3 MDL No:MFCD03410311
Product Description
Catalog Number:
AG001XQ3
Chemical Name:
2-Propenoic acid, 3-(4-bromophenyl)-2-cyano-, methyl ester
CAS Number:
167995-88-2
Molecular Formula:
C11H8BrNO2
Molecular Weight:
266.0907
MDL Number:
MFCD03410311
IUPAC Name:
methyl 3-(4-bromophenyl)-2-cyanoprop-2-enoate
InChI:
InChI=1S/C11H8BrNO2/c1-15-11(14)9(7-13)6-8-2-4-10(12)5-3-8/h2-6H,1H3
InChI Key:
PDCJTVLFFQUQGC-UHFFFAOYSA-N
SMILES:
COC(=O)C(=Cc1ccc(cc1)Br)C#N
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.974g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.094g/mol
Monoisotopic Mass:
264.974g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.8
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