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20034-00-8 | 1H-Benzimidazole-2-methanol, 6-nitro-
CAS No: 20034-00-8 Catalog No: AG002CPN MDL No:MFCD00462582
Product Description
Catalog Number:
AG002CPN
Chemical Name:
1H-Benzimidazole-2-methanol, 6-nitro-
CAS Number:
20034-00-8
Molecular Formula:
C8H7N3O3
Molecular Weight:
193.1595
MDL Number:
MFCD00462582
IUPAC Name:
(6-nitro-1H-benzimidazol-2-yl)methanol
InChI:
InChI=1S/C8H7N3O3/c12-4-8-9-6-2-1-5(11(13)14)3-7(6)10-8/h1-3,12H,4H2,(H,9,10)
InChI Key:
ZJLPIDVKNQXTKN-UHFFFAOYSA-N
SMILES:
OCc1nc2c([nH]1)cc(cc2)[N+](=O)[O-]
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.049g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
193.162g/mol
Monoisotopic Mass:
193.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
94.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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