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Home > Imidazoles > 832102-47-3
832102-47-3 | 1H-Benzimidazole-1-propanol, 2-methyl-5-nitro-
CAS No: 832102-47-3 Catalog No: AG004ZDE MDL No:
Product Description
Catalog Number:
AG004ZDE
Chemical Name:
1H-Benzimidazole-1-propanol, 2-methyl-5-nitro-
CAS Number:
832102-47-3
Molecular Formula:
C11H13N3O3
Molecular Weight:
235.2392
IUPAC Name:
3-(2-methyl-5-nitrobenzimidazol-1-yl)propan-1-ol
InChI:
InChI=1S/C11H13N3O3/c1-8-12-10-7-9(14(16)17)3-4-11(10)13(8)5-2-6-15/h3-4,7,15H,2,5-6H2,1H3
InChI Key:
QYVBGTDPRZABMI-UHFFFAOYSA-N
SMILES:
OCCCn1c(C)nc2c1ccc(c2)[N+](=O)[O-]
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.096g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.243g/mol
Monoisotopic Mass:
235.096g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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