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Home > Nitro Compounds > 1423033-93-5
1423033-93-5 | 1-methyl-3-nitro-1H-pyrazole-4-sulfonyl chloride
CAS No: 1423033-93-5 Catalog No: AG019VKS MDL No:MFCD22421917
Product Description
Catalog Number:
AG019VKS
Chemical Name:
1-methyl-3-nitro-1H-pyrazole-4-sulfonyl chloride
CAS Number:
1423033-93-5
Molecular Formula:
C4H4ClN3O4S
Molecular Weight:
225.6103
MDL Number:
MFCD22421917
IUPAC Name:
1-methyl-3-nitropyrazole-4-sulfonyl chloride
InChI:
InChI=1S/C4H4ClN3O4S/c1-7-2-3(13(5,11)12)4(6-7)8(9)10/h2H,1H3
InChI Key:
ZMXBXTKWTPWLNZ-UHFFFAOYSA-N
SMILES:
Cn1cc(c(n1)[N+](=O)[O-])S(=O)(=O)Cl
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.961g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.603g/mol
Monoisotopic Mass:
224.961g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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