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Home > Nitro Compounds > 7629-81-4
7629-81-4 | 2H-1,4-Benzoxazin-2-one, 7-nitro-3-phenyl-
CAS No: 7629-81-4 Catalog No: AG005E7I MDL No:
Product Description
Catalog Number:
AG005E7I
Chemical Name:
2H-1,4-Benzoxazin-2-one, 7-nitro-3-phenyl-
CAS Number:
7629-81-4
Molecular Formula:
C14H8N2O4
Molecular Weight:
268.2243
IUPAC Name:
7-nitro-3-phenyl-1,4-benzoxazin-2-one
InChI:
InChI=1S/C14H8N2O4/c17-14-13(9-4-2-1-3-5-9)15-11-7-6-10(16(18)19)8-12(11)20-14/h1-8H
InChI Key:
QBZAOFFFQNOPFT-UHFFFAOYSA-N
SMILES:
O=c1oc2cc(ccc2nc1c1ccccc1)[N+](=O)[O-]
Properties
Complexity:
437
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.048g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.228g/mol
Monoisotopic Mass:
268.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
84.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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