AG00017F

100191-31-9 | 5-Amino-6-chloro-2，1，3-benzothiadiazole

AG00017F

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CAS Number	100191-31-9
Catalog Number	AG00017F(AGN-PC-0WAFSN)
Chemical Name	5-Amino-6-chloro-2，1，3-benzothiadiazole
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
MDL Number	MFCD20703729
Molecular Formula	C6H4ClN3S
Molecular Weight	185.6341
SMILES	ClC1=CC2=NSN=C2C=C1N
Synonyms	5-Amino-6-chloro-2,1,3-benzothiadiazole, 100191-31-9, 6-chloro-2,1,3-Benzothiadiazol-5-amine, SCHEMBL14973432, KS-00000EAE, CCGIAUJBFGRFHE-UHFFFAOYSA-N, MFCD20703729, AKOS027256661, ZINC148540258, FCH1285386, TRA0068463, AS-54513, SY032783, 2,1,3-Benzothiadiazol-5-amine, 6-chloro-, FT-0738969, 6-chlorobenzo[c][1,2,5]thiadiazole-5-amine, MFCD20703729 (95%),

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

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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