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652979-71-0 | 2-Pyrrolidinemethanol, 1-(5-nitro-1H-benzimidazol-2-yl)-
CAS No: 652979-71-0 Catalog No: AG006TMA MDL No:
Product Description
Catalog Number:
AG006TMA
Chemical Name:
2-Pyrrolidinemethanol, 1-(5-nitro-1H-benzimidazol-2-yl)-
CAS Number:
652979-71-0
Molecular Formula:
C12H14N4O3
Molecular Weight:
262.2646
IUPAC Name:
[1-(6-nitro-1H-benzimidazol-2-yl)pyrrolidin-2-yl]methanol
InChI:
InChI=1S/C12H14N4O3/c17-7-9-2-1-5-15(9)12-13-10-4-3-8(16(18)19)6-11(10)14-12/h3-4,6,9,17H,1-2,5,7H2,(H,13,14)
InChI Key:
WRJZFMOWPZDMCU-UHFFFAOYSA-N
SMILES:
OCC1CCCN1c1nc2c([nH]1)ccc(c2)[N+](=O)[O-]
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.107g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
262.269g/mol
Monoisotopic Mass:
262.107g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
98A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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