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Home > Nitro Compounds > 1240568-16-4
1240568-16-4 | 1H-Pyrazole, 1-cyclopropyl-4-nitro-
CAS No: 1240568-16-4 Catalog No: AG000LGH MDL No:MFCD16810701
Product Description
Catalog Number:
AG000LGH
Chemical Name:
1H-Pyrazole, 1-cyclopropyl-4-nitro-
CAS Number:
1240568-16-4
Molecular Formula:
C6H7N3O2
Molecular Weight:
153.1387
MDL Number:
MFCD16810701
IUPAC Name:
1-cyclopropyl-4-nitropyrazole
InChI:
InChI=1S/C6H7N3O2/c10-9(11)6-3-7-8(4-6)5-1-2-5/h3-5H,1-2H2
InChI Key:
XTOMBOSUZBTHTM-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cnn(c1)C1CC1
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.054g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
153.141g/mol
Monoisotopic Mass:
153.054g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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