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Home > Nitro Compounds > 113628-30-1
113628-30-1 | Ethanone, 2-[(4-nitrophenyl)imino]-1-phenyl-, (2E)-
CAS No: 113628-30-1 Catalog No: AG000973 MDL No:
Product Description
Catalog Number:
AG000973
Chemical Name:
Ethanone, 2-[(4-nitrophenyl)imino]-1-phenyl-, (2E)-
CAS Number:
113628-30-1
Molecular Formula:
C14H10N2O3
Molecular Weight:
254.2408
IUPAC Name:
2-(4-nitrophenyl)imino-1-phenylethanone
InChI:
InChI=1S/C14H10N2O3/c17-14(11-4-2-1-3-5-11)10-15-12-6-8-13(9-7-12)16(18)19/h1-10H
InChI Key:
SUHDWQQBPVZIAN-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)/C=N/c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.069g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.245g/mol
Monoisotopic Mass:
254.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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