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Home > Nitro Compounds > 1240579-32-1
1240579-32-1 | 1-(cyclohexylmethyl)-3-nitro-1H-pyrazole
CAS No: 1240579-32-1 Catalog No: AG00JUZT MDL No:MFCD16810645
Product Description
Catalog Number:
AG00JUZT
Chemical Name:
1-(cyclohexylmethyl)-3-nitro-1H-pyrazole
CAS Number:
1240579-32-1
Molecular Formula:
C10H15N3O2
Molecular Weight:
209.2450
MDL Number:
MFCD16810645
IUPAC Name:
1-(cyclohexylmethyl)-3-nitropyrazole
InChI:
InChI=1S/C10H15N3O2/c14-13(15)10-6-7-12(11-10)8-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2
InChI Key:
KELVAPLJNMWOBV-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccn(n1)CC1CCCCC1
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.116g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.249g/mol
Monoisotopic Mass:
209.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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