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1369959-12-5 | 1H-Pyrazole, 3-chloro-5-nitro-
CAS No: 1369959-12-5 Catalog No: AG0012NI MDL No:
Product Description
Catalog Number:
AG0012NI
Chemical Name:
1H-Pyrazole, 3-chloro-5-nitro-
CAS Number:
1369959-12-5
Molecular Formula:
C3H2ClN3O2
Molecular Weight:
147.5199
IUPAC Name:
3-chloro-5-nitro-1H-pyrazole
InChI:
InChI=1S/C3H2ClN3O2/c4-2-1-3(6-5-2)7(8)9/h1H,(H,5,6)
InChI Key:
IAPLHVWLDQZZOU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(n[nH]1)Cl
Properties
Complexity:
125
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.984g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
147.518g/mol
Monoisotopic Mass:
146.984g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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