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Home > Nitro Compounds > 1247227-81-1
1247227-81-1 | 3-nitro-1H-pyrazole-4-sulfonyl chloride
CAS No: 1247227-81-1 Catalog No: AG019VKR MDL No:MFCD16042602
Product Description
Catalog Number:
AG019VKR
Chemical Name:
3-nitro-1H-pyrazole-4-sulfonyl chloride
CAS Number:
1247227-81-1
Molecular Formula:
C3H2ClN3O4S
Molecular Weight:
211.5837
MDL Number:
MFCD16042602
IUPAC Name:
5-nitro-1H-pyrazole-4-sulfonyl chloride
InChI:
InChI=1S/C3H2ClN3O4S/c4-12(10,11)2-1-5-6-3(2)7(8)9/h1H,(H,5,6)
InChI Key:
ZYXDISMDYUMDSS-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1n[nH]cc1S(=O)(=O)Cl
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.945g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.576g/mol
Monoisotopic Mass:
210.945g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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