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Home > Nitro Compounds > 400080-49-1
400080-49-1 | 6-nitro-N-(propan-2-yl)-1,2-benzoxazole-3-carboxamide
CAS No: 400080-49-1 Catalog No: AG00IXXQ MDL No:MFCD00665688
Product Description
Catalog Number:
AG00IXXQ
Chemical Name:
6-nitro-N-(propan-2-yl)-1,2-benzoxazole-3-carboxamide
CAS Number:
400080-49-1
Molecular Formula:
C11H11N3O4
Molecular Weight:
249.2227
MDL Number:
MFCD00665688
IUPAC Name:
6-nitro-N-propan-2-yl-1,2-benzoxazole-3-carboxamide
InChI:
InChI=1S/C11H11N3O4/c1-6(2)12-11(15)10-8-4-3-7(14(16)17)5-9(8)18-13-10/h3-6H,1-2H3,(H,12,15)
InChI Key:
NTUDNLUTHZWQHO-UHFFFAOYSA-N
SMILES:
CC(NC(=O)c1noc2c1ccc(c2)[N+](=O)[O-])C
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.075g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.226g/mol
Monoisotopic Mass:
249.075g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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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