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20975-42-2 | Carbanilic acid, 3-chloro-4-iododithio-, methyl ester (8CI)
CAS No: 20975-42-2 Catalog No: AG002KEL MDL No:
Product Description
Catalog Number:
AG002KEL
Chemical Name:
Carbanilic acid, 3-chloro-4-iododithio-, methyl ester (8CI)
CAS Number:
20975-42-2
Molecular Formula:
C8H7ClINS2
Molecular Weight:
343.6354
IUPAC Name:
methyl N-(3-chloro-4-iodophenyl)carbamodithioate
InChI:
InChI=1S/C8H7ClINS2/c1-13-8(12)11-5-2-3-7(10)6(9)4-5/h2-4H,1H3,(H,11,12)
InChI Key:
GBHUJYGCJQAKGE-UHFFFAOYSA-N
SMILES:
CSC(=S)Nc1ccc(c(c1)Cl)I
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.875g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
343.625g/mol
Monoisotopic Mass:
342.875g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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