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Home > Nitro Compounds > 338410-74-5
338410-74-5 | 1,5,6-trimethyl-4-nitro-1H-1,3-benzodiazole
CAS No: 338410-74-5 Catalog No: AG00IPGD MDL No:MFCD00231367
Product Description
Catalog Number:
AG00IPGD
Chemical Name:
1,5,6-trimethyl-4-nitro-1H-1,3-benzodiazole
CAS Number:
338410-74-5
Molecular Formula:
C10H11N3O2
Molecular Weight:
205.2132
MDL Number:
MFCD00231367
IUPAC Name:
1,5,6-trimethyl-4-nitrobenzimidazole
InChI:
InChI=1S/C10H11N3O2/c1-6-4-8-9(11-5-12(8)3)10(7(6)2)13(14)15/h4-5H,1-3H3
InChI Key:
OEKOACIXYOKHNS-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(C)c(C)cc2c1ncn2C
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:
0
Isotope Atom Count:
0
Molecular Weight:
205.217g/mol
Monoisotopic Mass:
205.085g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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