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100191-31-9 | 2,1,3-Benzothiadiazol-5-amine, 6-chloro-
CAS No: 100191-31-9 Catalog No: AG00017F MDL No:MFCD20703729
Product Description
Catalog Number:
AG00017F
Chemical Name:
2,1,3-Benzothiadiazol-5-amine, 6-chloro-
CAS Number:
100191-31-9
Molecular Formula:
C6H4ClN3S
Molecular Weight:
185.6341
MDL Number:
MFCD20703729
IUPAC Name:
5-chloro-2,1,3-benzothiadiazol-6-amine
InChI:
InChI=1S/C6H4ClN3S/c7-3-1-5-6(2-4(3)8)10-11-9-5/h1-2H,8H2
InChI Key:
CCGIAUJBFGRFHE-UHFFFAOYSA-N
SMILES:
Clc1cc2nsnc2cc1N
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.981g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
185.629g/mol
Monoisotopic Mass:
184.981g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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