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88041-64-9 | Phenol, 4-chloro-3,5-dimethyl-2-(methylsulfonyl)-
CAS No: 88041-64-9 Catalog No: AG004MOA MDL No:
Product Description
Catalog Number:
AG004MOA
Chemical Name:
Phenol, 4-chloro-3,5-dimethyl-2-(methylsulfonyl)-
CAS Number:
88041-64-9
Molecular Formula:
C9H11ClO3S
Molecular Weight:
234.6998
IUPAC Name:
4-chloro-3,5-dimethyl-2-methylsulfonylphenol
InChI:
InChI=1S/C9H11ClO3S/c1-5-4-7(11)9(14(3,12)13)6(2)8(5)10/h4,11H,1-3H3
InChI Key:
PHZOHNCIEYKJIZ-UHFFFAOYSA-N
SMILES:
Cc1cc(O)c(c(c1Cl)C)S(=O)(=O)C
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.012g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.694g/mol
Monoisotopic Mass:
234.012g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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