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13230-13-2 | 1H-Imidazole, 4-nitro-1-(phenylmethyl)-
CAS No: 13230-13-2 Catalog No: AG0010HV MDL No:
Product Description
Catalog Number:
AG0010HV
Chemical Name:
1H-Imidazole, 4-nitro-1-(phenylmethyl)-
CAS Number:
13230-13-2
Molecular Formula:
C10H9N3O2
Molecular Weight:
203.1974
IUPAC Name:
1-benzyl-4-nitroimidazole
InChI:
InChI=1S/C10H9N3O2/c14-13(15)10-7-12(8-11-10)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2
InChI Key:
OCHQIXWIGCISFH-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ncn(c1)Cc1ccccc1
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.069g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.201g/mol
Monoisotopic Mass:
203.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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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