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13333-77-2 | Phenol, 2,6-dichloro-4-(methylthio)-
CAS No: 13333-77-2 Catalog No: AG0014NZ MDL No:
Product Description
Catalog Number:
AG0014NZ
Chemical Name:
Phenol, 2,6-dichloro-4-(methylthio)-
CAS Number:
13333-77-2
Molecular Formula:
C7H6Cl2OS
Molecular Weight:
209.0929
IUPAC Name:
2,6-dichloro-4-methylsulfanylphenol
InChI:
InChI=1S/C7H6Cl2OS/c1-11-4-2-5(8)7(10)6(9)3-4/h2-3,10H,1H3
InChI Key:
CEPJPPGQKMOFRX-UHFFFAOYSA-N
SMILES:
CSc1cc(Cl)c(c(c1)Cl)O
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.952g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
209.084g/mol
Monoisotopic Mass:
207.952g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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