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Home > Nitro Compounds > 16063-05-1
16063-05-1 | 4H-3,1-Benzoxazin-4-one, 2-(4-nitrophenyl)-
CAS No: 16063-05-1 Catalog No: AG001S2U MDL No:MFCD00024123
Product Description
Catalog Number:
AG001S2U
Chemical Name:
4H-3,1-Benzoxazin-4-one, 2-(4-nitrophenyl)-
CAS Number:
16063-05-1
Molecular Formula:
C14H8N2O4
Molecular Weight:
268.2243
MDL Number:
MFCD00024123
IUPAC Name:
2-(4-nitrophenyl)-3,1-benzoxazin-4-one
InChI:
InChI=1S/C14H8N2O4/c17-14-11-3-1-2-4-12(11)15-13(20-14)9-5-7-10(8-6-9)16(18)19/h1-8H
InChI Key:
WDCDVVORESXHQH-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)c1nc2ccccc2c(=O)o1
Properties
Complexity:
435
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
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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