AG00CMOJ

31860-03-4 | 7-Bromobenzo[d][1,2,3]thiadiazole

AG00CMOJ

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CAS Number	31860-03-4
Catalog Number	AG00CMOJ(AGN-PC-0H9CXH)
Chemical Name	7-Bromobenzo[d][1,2,3]thiadiazole
IUPAC Name	7-bromo-1,2,3-benzothiadiazole
InChI	InChI=1S/C6H3BrN2S/c7-4-2-1-3-5-6(4)10-9-8-5/h1-3H
InChI Key	XACDEEWYFGMTMO-UHFFFAOYSA-N
MDL Number	MFCD22038095
Molecular Formula	C6H3BrN2S
Molecular Weight	215.0704
SMILES	BrC1=C(SN=N2)C2=CC=C1
Synonyms	7-Bromobenzo[d][1,2,3]thiadiazole, 31860-03-4, SCHEMBL659905, 7-bromo-1,2,3-benzothiadiazole, XACDEEWYFGMTMO-UHFFFAOYSA-N, 1,2,3-Benzothiadiazole, 7-bromo-, MFCD22038095, AKOS022690329,

Complexity	133
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	213.92g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	215.068g/mol
Monoisotopic Mass	213.92g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	54A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H320-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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