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85391-67-9 | Benzothiazole,4-chloro-2-(3,4-dichlorophenoxy)-
CAS No: 85391-67-9 Catalog No: AG004TMK MDL No:
Product Description
Catalog Number:
AG004TMK
Chemical Name:
Benzothiazole,4-chloro-2-(3,4-dichlorophenoxy)-
CAS Number:
85391-67-9
Molecular Formula:
C13H6Cl3NOS
Molecular Weight:
330.6168
IUPAC Name:
4-chloro-2-(3,4-dichlorophenoxy)-1,3-benzothiazole
InChI:
InChI=1S/C13H6Cl3NOS/c14-8-5-4-7(6-10(8)16)18-13-17-12-9(15)2-1-3-11(12)19-13/h1-6H
InChI Key:
WVZBHTIDWMGRPP-UHFFFAOYSA-N
SMILES:
Clc1cc(ccc1Cl)Oc1nc2c(s1)cccc2Cl
EC Number:
286-823-8
NSC Number:
209901
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.924g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.607g/mol
Monoisotopic Mass:
328.924g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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