Home Nitros 1H-Pyrazole-4-methanol, 1-methyl-3-nitro- (9CI)

1H-Pyrazole-4-methanol, 1-methyl-3-nitro- (9CI)

CAS No.:
64182-20-3
Catalog Number:
AG00EXTV
Molecular Formula:
C5H7N3O3
Molecular Weight:
157.1274
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG00EXTV
Chemical Name:
1H-Pyrazole-4-methanol, 1-methyl-3-nitro- (9CI)
CAS Number:
64182-20-3
Molecular Formula:
C5H7N3O3
Molecular Weight:
157.1274
MDL Number:
MFCD18809712
IUPAC Name:
(1-methyl-3-nitropyrazol-4-yl)methanol
InChI:
InChI=1S/C5H7N3O3/c1-7-2-4(3-9)5(6-7)8(10)11/h2,9H,3H2,1H3
InChI Key:
NHCXNPSBOVMFKR-UHFFFAOYSA-N
SMILES:
OCc1cn(nc1[N+](=O)[O-])C
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:
-0.5  
Properties