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Home > Nitro Compounds > 1249581-67-6
1249581-67-6 | 3-Cyclopropyl-4-nitro-1H-pyrazole
CAS No: 1249581-67-6 Catalog No: AG00HHUV MDL No:MFCD16249530
Product Description
Catalog Number:
AG00HHUV
Chemical Name:
3-Cyclopropyl-4-nitro-1H-pyrazole
CAS Number:
1249581-67-6
Molecular Formula:
C6H7N3O2
Molecular Weight:
153.1387
MDL Number:
MFCD16249530
IUPAC Name:
5-cyclopropyl-4-nitro-1H-pyrazole
InChI:
InChI=1S/C6H7N3O2/c10-9(11)5-3-7-8-6(5)4-1-2-4/h3-4H,1-2H2,(H,7,8)
InChI Key:
WRYNUOFZIOHDEB-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cn[nH]c1C1CC1
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:
1
Isotope Atom Count:
0
Molecular Weight:
153.141g/mol
Monoisotopic Mass:
153.054g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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