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87848-13-3 | Benzenethiol, 4-(3,4-dichlorophenoxy)-
CAS No: 87848-13-3 Catalog No: AG004GZ0 MDL No:
Product Description
Catalog Number:
AG004GZ0
Chemical Name:
Benzenethiol, 4-(3,4-dichlorophenoxy)-
CAS Number:
87848-13-3
Molecular Formula:
C12H8Cl2OS
Molecular Weight:
271.1623
IUPAC Name:
4-(3,4-dichlorophenoxy)benzenethiol
InChI:
InChI=1S/C12H8Cl2OS/c13-11-6-3-9(7-12(11)14)15-8-1-4-10(16)5-2-8/h1-7,16H
InChI Key:
KKALMJNLHRKKDO-UHFFFAOYSA-N
SMILES:
Sc1ccc(cc1)Oc1ccc(c(c1)Cl)Cl
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.967g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
271.155g/mol
Monoisotopic Mass:
269.967g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
10.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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