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1233026-31-7 | Pyrimidine, 2-chloro-4-(methylsulfonyl)-
CAS No: 1233026-31-7 Catalog No: AG000KAQ MDL No:MFCD16659665
Product Description
Catalog Number:
AG000KAQ
Chemical Name:
Pyrimidine, 2-chloro-4-(methylsulfonyl)-
CAS Number:
1233026-31-7
Molecular Formula:
C5H5ClN2O2S
Molecular Weight:
192.6234
MDL Number:
MFCD16659665
IUPAC Name:
2-chloro-4-methylsulfonylpyrimidine
InChI:
InChI=1S/C5H5ClN2O2S/c1-11(9,10)4-2-3-7-5(6)8-4/h2-3H,1H3
InChI Key:
YJIANTUNRFFGOK-UHFFFAOYSA-N
SMILES:
Clc1nccc(n1)S(=O)(=O)C
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.976g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.617g/mol
Monoisotopic Mass:
191.976g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
68.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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