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Home > Nitro Compounds > 1795433-28-1
1795433-28-1 | 2-(5-methyl-4-nitro-1H-pyrazol-1-yl)ethan-1-ol
CAS No: 1795433-28-1 Catalog No: AG01AOTJ MDL No:MFCD28962818
Product Description
Catalog Number:
AG01AOTJ
Chemical Name:
2-(5-methyl-4-nitro-1H-pyrazol-1-yl)ethan-1-ol
CAS Number:
1795433-28-1
Molecular Formula:
C6H9N3O3
Molecular Weight:
171.1540
MDL Number:
MFCD28962818
IUPAC Name:
2-(5-methyl-4-nitropyrazol-1-yl)ethanol
InChI:
InChI=1S/C6H9N3O3/c1-5-6(9(11)12)4-7-8(5)2-3-10/h4,10H,2-3H2,1H3
InChI Key:
PGDDDJHGRPWKOC-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cnn(c1C)CCO
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:
-0.3
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