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Home > Nitro Compounds > 326827-23-0
326827-23-0 | 1H-Pyrazole, 3-cyclopropyl-5-nitro-
CAS No: 326827-23-0 Catalog No: AG00I67I MDL No:MFCD09701702
Product Description
Catalog Number:
AG00I67I
Chemical Name:
1H-Pyrazole, 3-cyclopropyl-5-nitro-
CAS Number:
326827-23-0
Molecular Formula:
C6H7N3O2
Molecular Weight:
153.1387
MDL Number:
MFCD09701702
IUPAC Name:
3-cyclopropyl-5-nitro-1H-pyrazole
InChI:
InChI=1S/C6H7N3O2/c10-9(11)6-3-5(7-8-6)4-1-2-4/h3-4H,1-2H2,(H,7,8)
InChI Key:
CTSMOTWWAYPQLU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1[nH]nc(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:
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:
1
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