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Home > Imidazoles > 104575-39-5
104575-39-5 | 1H-Imidazole-2-methanol,1,4-dimethyl-5-nitro-
CAS No: 104575-39-5 Catalog No: AG007XSI MDL No:
Product Description
Catalog Number:
AG007XSI
Chemical Name:
1H-Imidazole-2-methanol,1,4-dimethyl-5-nitro-
CAS Number:
104575-39-5
Molecular Formula:
C6H9N3O3
Molecular Weight:
171.1540
IUPAC Name:
(1,4-dimethyl-5-nitroimidazol-2-yl)methanol
InChI:
InChI=1S/C6H9N3O3/c1-4-6(9(11)12)8(2)5(3-10)7-4/h10H,3H2,1-2H3
InChI Key:
QFCZUXUHKLYQKW-UHFFFAOYSA-N
SMILES:
OCc1nc(c(n1C)[N+](=O)[O-])C
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.064g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
171.156g/mol
Monoisotopic Mass:
171.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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