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114138-86-2

114138-86-2 | 2-Benzothiazolamine, 5,7-dichloro-6-methoxy-

CAS No: 114138-86-2 Catalog No: AG000AO1 MDL No:

Product Description

Catalog Number:
AG000AO1
Chemical Name:
2-Benzothiazolamine, 5,7-dichloro-6-methoxy-
CAS Number:
114138-86-2
Molecular Formula:
C8H6Cl2N2OS
Molecular Weight:
249.1170
IUPAC Name:
5,7-dichloro-6-methoxy-1,3-benzothiazol-2-amine
InChI:
InChI=1S/C8H6Cl2N2OS/c1-13-6-3(9)2-4-7(5(6)10)14-8(11)12-4/h2H,1H3,(H2,11,12)
InChI Key:
XDXHXMPHFWDFNS-UHFFFAOYSA-N
SMILES:
COc1c(Cl)cc2c(c1Cl)sc(n2)N

Properties

Complexity:
222  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.958g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
249.109g/mol
Monoisotopic Mass:
247.958g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
76.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  

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