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Home > Nitro Compounds > 101220-38-6
101220-38-6 | (2Z)-2-[(Z)-benzoyl]-3-(4-nitrophenyl)prop-2-enenitrile
CAS No: 101220-38-6 Catalog No: AG00ITEP MDL No:MFCD00159019
Product Description
Catalog Number:
AG00ITEP
Chemical Name:
(2Z)-2-[(Z)-benzoyl]-3-(4-nitrophenyl)prop-2-enenitrile
CAS Number:
101220-38-6
Molecular Formula:
C16H10N2O3
Molecular Weight:
278.2622
MDL Number:
MFCD00159019
IUPAC Name:
2-benzoyl-3-(4-nitrophenyl)prop-2-enenitrile
InChI:
InChI=1S/C16H10N2O3/c17-11-14(16(19)13-4-2-1-3-5-13)10-12-6-8-15(9-7-12)18(20)21/h1-10H
InChI Key:
QEXDYRFTUMHTEQ-UHFFFAOYSA-N
SMILES:
N#C/C(=C/c1ccc(cc1)[N+](=O)[O-])/C(=O)c1ccccc1
Properties
Complexity:
470
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.069g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.267g/mol
Monoisotopic Mass:
278.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.4
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