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Home > Nitro Compounds > 306977-68-4
306977-68-4 | 1-benzyl-5,6-dimethyl-4-nitro-1H-1,3-benzodiazole
CAS No: 306977-68-4 Catalog No: AG00IWEA MDL No:MFCD00231304
Product Description
Catalog Number:
AG00IWEA
Chemical Name:
1-benzyl-5,6-dimethyl-4-nitro-1H-1,3-benzodiazole
CAS Number:
306977-68-4
Molecular Formula:
C16H15N3O2
Molecular Weight:
281.3092
MDL Number:
MFCD00231304
IUPAC Name:
1-benzyl-5,6-dimethyl-4-nitrobenzimidazole
InChI:
InChI=1S/C16H15N3O2/c1-11-8-14-15(16(12(11)2)19(20)21)17-10-18(14)9-13-6-4-3-5-7-13/h3-8,10H,9H2,1-2H3
InChI Key:
ROZNJMOOTMTNFH-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(C)c(C)cc2c1ncn2Cc1ccccc1
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.116g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.315g/mol
Monoisotopic Mass:
281.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.6A^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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