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Home Nitros (3-Methyl-2-nitro-3h-imidazol-4-yl)-methanol

(3-Methyl-2-nitro-3h-imidazol-4-yl)-methanol

CAS No.:
39070-14-9
Catalog Number:
AG00BYVJ
Molecular Formula:
C5H7N3O3
Molecular Weight:
157.1274
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
≥ 95% (NMR)
1 week
United States
$323
- +
250mg
≥ 95% (NMR)
1 week
United States
$608
- +
1g
≥ 95% (NMR)
1 week
United States
$1178
- +
5g
≥ 95% (NMR)
1 week
United States
$3620
- +
Product Description
Catalog Number:
AG00BYVJ
Chemical Name:
(3-Methyl-2-nitro-3h-imidazol-4-yl)-methanol
CAS Number:
39070-14-9
Molecular Formula:
C5H7N3O3
Molecular Weight:
157.1274
MDL Number:
MFCD06738747
IUPAC Name:
(3-methyl-2-nitroimidazol-4-yl)methanol
InChI:
InChI=1S/C5H7N3O3/c1-7-4(3-9)2-6-5(7)8(10)11/h2,9H,3H2,1H3
InChI Key:
WXSSUDRHAJTESR-UHFFFAOYSA-N
SMILES:
OCc1cnc(n1C)[N+](=O)[O-]
UNII:
85SM19TN0H
NSC Number:
307224
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:
-0.4  
Literature
Title Journal
Metabolism and excretion of TH-302 in dogs. Xenobiotica; the fate of foreign compounds in biological systems 20120701
Properties