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Home > Nitro Compounds > 338423-41-9
338423-41-9 | 5,6-dimethyl-4-nitro-1-propyl-1H-1,3-benzodiazole
CAS No: 338423-41-9 Catalog No: AG00ITUP MDL No:MFCD00231536
Product Description
Catalog Number:
AG00ITUP
Chemical Name:
5,6-dimethyl-4-nitro-1-propyl-1H-1,3-benzodiazole
CAS Number:
338423-41-9
Molecular Formula:
C12H15N3O2
Molecular Weight:
233.2664
MDL Number:
MFCD00231536
IUPAC Name:
5,6-dimethyl-4-nitro-1-propylbenzimidazole
InChI:
InChI=1S/C12H15N3O2/c1-4-5-14-7-13-11-10(14)6-8(2)9(3)12(11)15(16)17/h6-7H,4-5H2,1-3H3
InChI Key:
SRBXFEGEBRCJRD-UHFFFAOYSA-N
SMILES:
CCCn1cnc2c1cc(C)c(c2[N+](=O)[O-])C
Properties
Complexity:
292
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:
2
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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