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832102-68-8 | 1H-Benzimidazole, 5-nitro-2-(1-pyrrolidinyl)-
CAS No: 832102-68-8 Catalog No: AG004ZD9 MDL No:
Product Description
Catalog Number:
AG004ZD9
Chemical Name:
1H-Benzimidazole, 5-nitro-2-(1-pyrrolidinyl)-
CAS Number:
832102-68-8
Molecular Formula:
C11H12N4O2
Molecular Weight:
232.2386
IUPAC Name:
6-nitro-2-pyrrolidin-1-yl-1H-benzimidazole
InChI:
InChI=1S/C11H12N4O2/c16-15(17)8-3-4-9-10(7-8)13-11(12-9)14-5-1-2-6-14/h3-4,7H,1-2,5-6H2,(H,12,13)
InChI Key:
XDTBBZVMEKFRJG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)nc([nH]2)N1CCCC1
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.096g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.243g/mol
Monoisotopic Mass:
232.096g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
77.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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