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103248-20-0 | 1H-Benzimidazole,6-nitro-1-(1-pyrrolidinylmethyl)-
CAS No: 103248-20-0 Catalog No: AG0085XC MDL No:
Product Description
Catalog Number:
AG0085XC
Chemical Name:
1H-Benzimidazole,6-nitro-1-(1-pyrrolidinylmethyl)-
CAS Number:
103248-20-0
Molecular Formula:
C12H14N4O2
Molecular Weight:
246.2652
IUPAC Name:
6-nitro-1-(pyrrolidin-1-ylmethyl)benzimidazole
InChI:
InChI=1S/C12H14N4O2/c17-16(18)10-3-4-11-12(7-10)15(8-13-11)9-14-5-1-2-6-14/h3-4,7-8H,1-2,5-6,9H2
InChI Key:
DBXYSMRCVSVYRP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)n(cn2)CN1CCCC1
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.112g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.27g/mol
Monoisotopic Mass:
246.112g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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