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288148-34-5 | 1H-Pyrazole-4-sulfonyl chloride, 1-methyl-
CAS No: 288148-34-5 Catalog No: AG002WLS MDL No:MFCD04968667
Product Description
Catalog Number:
AG002WLS
Chemical Name:
1H-Pyrazole-4-sulfonyl chloride, 1-methyl-
CAS Number:
288148-34-5
Molecular Formula:
C4H5ClN2O2S
Molecular Weight:
180.6127
MDL Number:
MFCD04968667
IUPAC Name:
1-methylpyrazole-4-sulfonyl chloride
InChI:
InChI=1S/C4H5ClN2O2S/c1-7-3-4(2-6-7)10(5,8)9/h2-3H,1H3
InChI Key:
RDAVKKQKMLINOH-UHFFFAOYSA-N
SMILES:
Cn1ncc(c1)S(=O)(=O)Cl
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.976g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.606g/mol
Monoisotopic Mass:
179.976g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
60.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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