AG01C3YA

Name: 3-(Bromomethyl)-1,2-benzothiazole
Brand: Angene Chemical
SKU: AG01C3YA

59057-83-9 | 3-(Bromomethyl)-1,2-benzothiazole

AG01C3YA

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CAS Number	59057-83-9
Catalog Number	AG01C3YA(AGN-PC-0N7GZE)
Chemical Name	3-(Bromomethyl)-1,2-benzothiazole
IUPAC Name	3-(bromomethyl)-1,2-benzothiazole
InChI	InChI=1S/C8H6BrNS/c9-5-7-6-3-1-2-4-8(6)11-10-7/h1-4H,5H2
InChI Key	SJQDCNIUVMYRBH-UHFFFAOYSA-N
MDL Number	MFCD25965128
Molecular Formula	C8H6BrNS
Molecular Weight	228.1089
SMILES	BrCC1C2=C(C=CC=C2)SN=1
Synonyms	59057-83-9, 3-(Bromomethyl)benzo[d]isothiazole, 3-(bromomethyl)-1,2-benzothiazole, 1,2-Benzisothiazole, 3-(bromomethyl)-, 3-(bromomethyl)benzoisothiazole, SCHEMBL9670628, CTK1D9702, DTXSID80442469, ZINC39076543, CID10609370, 9-(bromomethyl)-7-thia-8-azabicyclo[4.3.0]nona-1,3,5,8-tetraene,

Complexity	142
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	226.94g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	228.107g/mol
Monoisotopic Mass	226.94g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	41.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited