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Home > Nitro Compounds > 400079-09-6
400079-09-6 | N,N-dimethyl-6-nitro-1,2-benzoxazole-3-carboxamide
CAS No: 400079-09-6 Catalog No: AG00IOQV MDL No:MFCD00665466
Product Description
Catalog Number:
AG00IOQV
Chemical Name:
N,N-dimethyl-6-nitro-1,2-benzoxazole-3-carboxamide
CAS Number:
400079-09-6
Molecular Formula:
C10H9N3O4
Molecular Weight:
235.1962
MDL Number:
MFCD00665466
IUPAC Name:
N,N-dimethyl-6-nitro-1,2-benzoxazole-3-carboxamide
InChI:
InChI=1S/C10H9N3O4/c1-12(2)10(14)9-7-4-3-6(13(15)16)5-8(7)17-11-9/h3-5H,1-2H3
InChI Key:
CDFZSCCBYFRXCK-UHFFFAOYSA-N
SMILES:
CN(C(=O)c1noc2c1ccc(c2)[N+](=O)[O-])C
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.059g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.199g/mol
Monoisotopic Mass:
235.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
92.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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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