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Home > Nitro Compounds > 1374830-12-2
1374830-12-2 | 3-cyclobutyl-4-nitro-1H-pyrazole
CAS No: 1374830-12-2 Catalog No: AG01DYPN MDL No:MFCD30722613
Product Description
Catalog Number:
AG01DYPN
Chemical Name:
3-cyclobutyl-4-nitro-1H-pyrazole
CAS Number:
1374830-12-2
Molecular Formula:
C7H9N3O2
Molecular Weight:
167.1653
MDL Number:
MFCD30722613
IUPAC Name:
5-cyclobutyl-4-nitro-1H-pyrazole
InChI:
InChI=1S/C7H9N3O2/c11-10(12)6-4-8-9-7(6)5-2-1-3-5/h4-5H,1-3H2,(H,8,9)
InChI Key:
VJQZQCPFSQEIGU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c[nH]nc1C1CCC1
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.069g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
167.168g/mol
Monoisotopic Mass:
167.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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