Home Nitros 2-(5-nitro-1H-pyrazol-1-yl)ethan-1-ol

2-(5-nitro-1H-pyrazol-1-yl)ethan-1-ol

CAS No.:
1026867-48-0
Catalog Number:
AG01DUXG
Molecular Formula:
C5H7N3O3
Molecular Weight:
157.1274
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Product Description
Catalog Number:
AG01DUXG
Chemical Name:
2-(5-nitro-1H-pyrazol-1-yl)ethan-1-ol
CAS Number:
1026867-48-0
Molecular Formula:
C5H7N3O3
Molecular Weight:
157.1274
MDL Number:
MFCD31657892
IUPAC Name:
2-(5-nitropyrazol-1-yl)ethanol
InChI:
InChI=1S/C5H7N3O3/c9-4-3-7-5(8(10)11)1-2-6-7/h1-2,9H,3-4H2
InChI Key:
JWALXPWEBZKBBE-UHFFFAOYSA-N
SMILES:
OCCn1nccc1[N+](=O)[O-]
Properties
Complexity:
146  
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:
2  
Topological Polar Surface Area:
83.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4  
Properties