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87314-50-9 | 1,2-Benzenedithiol, 3-chloro-
CAS No: 87314-50-9 Catalog No: AG004HOT MDL No:
Product Description
Catalog Number:
AG004HOT
Chemical Name:
1,2-Benzenedithiol, 3-chloro-
CAS Number:
87314-50-9
Molecular Formula:
C6H5ClS2
Molecular Weight:
176.6869
IUPAC Name:
3-chlorobenzene-1,2-dithiol
InChI:
InChI=1S/C6H5ClS2/c7-4-2-1-3-5(8)6(4)9/h1-3,8-9H
InChI Key:
ZDTOSZNUKHUNAK-UHFFFAOYSA-N
SMILES:
Sc1c(S)cccc1Cl
Properties
Complexity:
97.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.952g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
176.676g/mol
Monoisotopic Mass:
175.952g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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