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Home > Imidazoles > 85012-71-1
85012-71-1 | 1H-Imidazole-5-methanol, 1-methyl-4-nitro- (9CI)
CAS No: 85012-71-1 Catalog No: AG00GDCR MDL No:
Product Description
Catalog Number:
AG00GDCR
Chemical Name:
1H-Imidazole-5-methanol, 1-methyl-4-nitro- (9CI)
CAS Number:
85012-71-1
IUPAC Name:
(3-methyl-5-nitroimidazol-4-yl)methanol
InChI:
InChI=1S/C5H7N3O3/c1-7-3-6-5(8(10)11)4(7)2-9/h3,9H,2H2,1H3
InChI Key:
MDAUBBLPTALUKY-UHFFFAOYSA-N
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.049g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
157.129g/mol
Monoisotopic Mass:
157.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4
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