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Home > Nitro Compounds > 338423-65-7
338423-65-7 | 1-[(4-methoxyphenyl)methyl]-5,6-dimethyl-4-nitro-1H-1,3-benzodiazole
CAS No: 338423-65-7 Catalog No: AG00IY68 MDL No:MFCD00231553
Product Description
Catalog Number:
AG00IY68
Chemical Name:
1-[(4-methoxyphenyl)methyl]-5,6-dimethyl-4-nitro-1H-1,3-benzodiazole
CAS Number:
338423-65-7
Molecular Formula:
C17H17N3O3
Molecular Weight:
311.3352
MDL Number:
MFCD00231553
IUPAC Name:
1-[(4-methoxyphenyl)methyl]-5,6-dimethyl-4-nitrobenzimidazole
InChI:
InChI=1S/C17H17N3O3/c1-11-8-15-16(17(12(11)2)20(21)22)18-10-19(15)9-13-4-6-14(23-3)7-5-13/h4-8,10H,9H2,1-3H3
InChI Key:
VZESJLNODSAQEW-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)Cn1cnc2c1cc(C)c(c2N(=O)=O)C
Properties
Complexity:
420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.127g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.341g/mol
Monoisotopic Mass:
311.127g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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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