AG00FD3P

65858-50-6 | 5-(Bromomethyl)benzo[c][1,2,5]thiadiazole

AG00FD3P

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CAS Number	65858-50-6
Catalog Number	AG00FD3P(AGN-PC-0JTF10)
Chemical Name	5-(Bromomethyl)benzo[c][1,2,5]thiadiazole
IUPAC Name	5-(bromomethyl)-2,1,3-benzothiadiazole
InChI	InChI=1S/C7H5BrN2S/c8-4-5-1-2-6-7(3-5)10-11-9-6/h1-3H,4H2
InChI Key	JEPACAAYCVWCFI-UHFFFAOYSA-N
MDL Number	MFCD00544836
Molecular Formula	C7H5BrN2S
Molecular Weight	229.0970
SMILES	BrCC1=CC2=NSN=C2C=C1
Synonyms	5-(Bromomethyl)-2,1,3-benzothiadiazole, 65858-50-6, 5-(bromomethyl)benzo[c][1,2,5]thiadiazole, JEPACAAYCVWCFI-UHFFFAOYSA-N, 5-Bromomethylbenzo-2,1,3-thiadiazole, 5-Bromomethyl-benzo[1,2,5]thiadiazole, 2,1,3-Benzothiadiazole,5-(bromomethyl)-, 2,1,3-Benzothiadiazole, 5-(bromomethyl)-, 5-(bromomethyl)benzo[c]1,2,5-thiadiazole, AC1LBY4C, ChemDiv2_002135, SCHEMBL245270, CTK5C3192, ZINC87284, DTXSID80343624, HMS1375B01, ALBB-023063, KS-000025DY, ZX-AN021577, ZX-AT002686, ANW-55966, KM0959, MFCD00544836, SBB079092, STK734233, 5-Bromomethyl-2,1,3-benzthiadiazole, 5-bromomethylbenzo-2.1.3-thiadiazole, 5-bromomethylbenzo[2,1,3]thiadiazole, AKOS003286244, FCH1317657, GA-0867, MCULE-3968844292, OR23129, RP05494, 5-(bromomethyl)2,1,3-benzothiadiazole, 2,1,3-Benzothiadiazole, 5-bromomethyl-, AJ-10776, AK-46764, ZB003127, 5-(Bromomethyl)-2,1,3-benzothiadiazole #, AX8101220, DB-010938, ST4059792, TR-022352, EU-0019145, FT-0619693, ST24044223, Y9756, 5-(Bromomethyl);benzo[c][1,2,5]thiadiazole, benzo[c][1,2,5]thiadiazol-5-yl-methylbromide, (benzo-[c][1,2,5]-thiadiazol-6-yl)methylbromide, J-516297, S14-2008, I14-12992, A2393/0101321, C7H5BrN2S, CID591004, ZINC00087284, 5- -2,1,3-BENZOTHIADIAZOLE, ACN-038704,

Complexity	144
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	0
Isotope Atom Count	0
Molecular Weight	229.095g/mol
Monoisotopic Mass	227.936g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	54A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P233-P260-P261-P264-P270-P271-P280-P301+P310-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
UN Code	UN 2811

Certificate of Analysis

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