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1855907-05-9 | 5-iodo-1-methyl-1H-pyrazole-4-sulfonyl chloride
CAS No: 1855907-05-9 Catalog No: AG01C48D MDL No:MFCD29763049
Product Description
Catalog Number:
AG01C48D
Chemical Name:
5-iodo-1-methyl-1H-pyrazole-4-sulfonyl chloride
CAS Number:
1855907-05-9
Molecular Formula:
C4H4ClIN2O2S
Molecular Weight:
306.5092
MDL Number:
MFCD29763049
IUPAC Name:
5-iodo-1-methylpyrazole-4-sulfonyl chloride
InChI:
InChI=1S/C4H4ClIN2O2S/c1-8-4(6)3(2-7-8)11(5,9)10/h2H,1H3
InChI Key:
HJAADXPCNFUOLH-UHFFFAOYSA-N
SMILES:
Cn1ncc(c1I)S(=O)(=O)Cl
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.873g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
306.502g/mol
Monoisotopic Mass:
305.873g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
60.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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