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Home > Nitro Compounds > 137079-02-8
137079-02-8 | 4-nitro-1-(oxiran-2-ylmethyl)-1H-pyrazole
CAS No: 137079-02-8 Catalog No: AG019NBT MDL No:MFCD11128254
Product Description
Catalog Number:
AG019NBT
Chemical Name:
4-nitro-1-(oxiran-2-ylmethyl)-1H-pyrazole
CAS Number:
137079-02-8
Molecular Formula:
C6H7N3O3
Molecular Weight:
169.1381
MDL Number:
MFCD11128254
IUPAC Name:
4-nitro-1-(oxiran-2-ylmethyl)pyrazole
InChI:
InChI=1S/C6H7N3O3/c10-9(11)5-1-7-8(2-5)3-6-4-12-6/h1-2,6H,3-4H2
InChI Key:
VIZVMNQUUUAGAW-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cn(nc1)CC1CO1
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.049g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.14g/mol
Monoisotopic Mass:
169.049g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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