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Home > Nitro Compounds > 1328640-72-7
1328640-72-7 | (1-ETHYL-3-NITRO-1H-PYRAZOL-5-YL)METHANOL
CAS No: 1328640-72-7 Catalog No: AG01DV9A MDL No:MFCD20491553
Product Description
Catalog Number:
AG01DV9A
Chemical Name:
(1-ETHYL-3-NITRO-1H-PYRAZOL-5-YL)METHANOL
CAS Number:
1328640-72-7
Molecular Formula:
C6H9N3O3
Molecular Weight:
171.1540
MDL Number:
MFCD20491553
IUPAC Name:
(2-ethyl-5-nitropyrazol-3-yl)methanol
InChI:
InChI=1S/C6H9N3O3/c1-2-8-5(4-10)3-6(7-8)9(11)12/h3,10H,2,4H2,1H3
InChI Key:
WRLXCBQBIBOACP-UHFFFAOYSA-N
SMILES:
OCc1cc(nn1CC)[N+](=O)[O-]
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.064g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
171.156g/mol
Monoisotopic Mass:
171.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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