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Home > Imidazoles > 35175-14-5
35175-14-5 | 1H-Imidazole-2-methanol,a,a,1-trimethyl-5-nitro-
CAS No: 35175-14-5 Catalog No: AG007FKI MDL No:
Product Description
Catalog Number:
AG007FKI
Chemical Name:
1H-Imidazole-2-methanol,a,a,1-trimethyl-5-nitro-
CAS Number:
35175-14-5
Molecular Formula:
C7H11N3O3
Molecular Weight:
185.1805
IUPAC Name:
2-(1-methyl-5-nitroimidazol-2-yl)propan-2-ol
InChI:
InChI=1S/C7H11N3O3/c1-7(2,11)6-8-4-5(9(6)3)10(12)13/h4,11H,1-3H3
InChI Key:
DTHPMNDYKOSVFR-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cnc(n1C)C(O)(C)C
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.08g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
185.183g/mol
Monoisotopic Mass:
185.08g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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