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Home > Nitro Compounds > 173037-03-1
173037-03-1 | 2,5,6-trimethyl-4-nitro-1H-1,3-benzodiazole
CAS No: 173037-03-1 Catalog No: AG00IQLN MDL No:MFCD00232097
Product Description
Catalog Number:
AG00IQLN
Chemical Name:
2,5,6-trimethyl-4-nitro-1H-1,3-benzodiazole
CAS Number:
173037-03-1
Molecular Formula:
C10H11N3O2
Molecular Weight:
205.2132
MDL Number:
MFCD00232097
IUPAC Name:
2,5,6-trimethyl-4-nitro-1H-benzimidazole
InChI:
InChI=1S/C10H11N3O2/c1-5-4-8-9(12-7(3)11-8)10(6(5)2)13(14)15/h4H,1-3H3,(H,11,12)
InChI Key:
JQUPEWYRPIWRBP-UHFFFAOYSA-N
SMILES:
Cc1[nH]c2c(n1)c([N+](=O)[O-])c(c(c2)C)C
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.085g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.217g/mol
Monoisotopic Mass:
205.085g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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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