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Home > Nitro Compounds > 338423-01-1
338423-01-1 | 5,6-dimethyl-4-nitro-1-(propan-2-yl)-1H-1,3-benzodiazole
CAS No: 338423-01-1 Catalog No: AG00IP3B MDL No:MFCD00231515
Product Description
Catalog Number:
AG00IP3B
Chemical Name:
5,6-dimethyl-4-nitro-1-(propan-2-yl)-1H-1,3-benzodiazole
CAS Number:
338423-01-1
Molecular Formula:
C12H15N3O2
Molecular Weight:
233.2664
MDL Number:
MFCD00231515
IUPAC Name:
5,6-dimethyl-4-nitro-1-propan-2-ylbenzimidazole
InChI:
InChI=1S/C12H15N3O2/c1-7(2)14-6-13-11-10(14)5-8(3)9(4)12(11)15(16)17/h5-7H,1-4H3
InChI Key:
RKSYVSMEVYYIAW-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(C)c(C)cc2c1ncn2C(C)C
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.116g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.271g/mol
Monoisotopic Mass:
233.116g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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