AG00EICO

613262-16-1 | 5-Bromobenzo[d]isothiazol-3-amine

AG00EICO

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CAS Number	613262-16-1
Catalog Number	AG00EICO(AGN-PC-0N3T1Z)
Chemical Name	5-Bromobenzo[d]isothiazol-3-amine
IUPAC Name	5-bromo-1,2-benzothiazol-3-amine
InChI	InChI=1S/C7H5BrN2S/c8-4-1-2-6-5(3-4)7(9)10-11-6/h1-3H,(H2,9,10)
InChI Key	NTLSBZHEUNMUAP-UHFFFAOYSA-N
MDL Number	MFCD11847097
Molecular Formula	C7H5BrN2S
Molecular Weight	229.0970
SMILES	NC1=NSC2=CC=C(Br)C=C12
Synonyms	5-Bromobenzo[d]isothiazol-3-amine, 613262-16-1, 5-bromo-1,2-benzothiazol-3-amine, AK-30811, CTK8B5617, KS-00000IEM, DTXSID50439280, ZINC3818470, ANW-49333, MFCD11847097, AKOS015919878, FCH1406416, FS-2980, RP27812, AJ-45720, BR-30811, CJ-10779, SC-31440, AB0025820, AX8168231, TC-138078, 4CH-009243, ST24029417, W7360, S-6954, J-517155, C7H5BrN2S, CID10398915, 1,2-Benzisothiazol-3-amine, 5-bromo-, 3-bromo-7-thia-8-azabicyclo[4.3.0]nona-2,4,8,10-tetraen-9-amine,

Complexity	155
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	227.936g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	229.095g/mol
Monoisotopic Mass	227.936g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	67.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number