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89629-88-9 | Carbonochloridic acid, 2-methyl-4-(methylthio)phenyl ester
CAS No: 89629-88-9 Catalog No: AG003WZU MDL No:
Product Description
Catalog Number:
AG003WZU
Chemical Name:
Carbonochloridic acid, 2-methyl-4-(methylthio)phenyl ester
CAS Number:
89629-88-9
Molecular Formula:
C9H9ClO2S
Molecular Weight:
216.6846
IUPAC Name:
(2-methyl-4-methylsulfanylphenyl) carbonochloridate
InChI:
InChI=1S/C9H9ClO2S/c1-6-5-7(13-2)3-4-8(6)12-9(10)11/h3-5H,1-2H3
InChI Key:
KZONCSZAGPFXBB-UHFFFAOYSA-N
SMILES:
CSc1ccc(c(c1)C)OC(=O)Cl
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.001g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.679g/mol
Monoisotopic Mass:
216.001g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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