AG0091ZG

1071224-34-4 | 7-bromo-2,1,3-benzothiadiazole-4-carbaldehyde

AG0091ZG

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CAS Number	1071224-34-4
Catalog Number	AG0091ZG(AGN-PC-0WCX77)
Chemical Name	7-bromo-2,1,3-benzothiadiazole-4-carbaldehyde
IUPAC Name	4-bromo-2,1,3-benzothiadiazole-7-carbaldehyde
InChI	InChI=1S/C7H3BrN2OS/c8-5-2-1-4(3-11)6-7(5)10-12-9-6/h1-3H
InChI Key	VPDPNJVAWKCZEH-UHFFFAOYSA-N
MDL Number	MFCD23704428
Molecular Formula	C7H3BrN2OS
Molecular Weight	243.0805
SMILES	BrC1=CC=C(C=2C1=NSN2)C=O
Synonyms	1071224-34-4, 7-Bromobenzo[c][1,2,5]thiadiazole-4-carbaldehyde, 7-bromo-benzo[c][1,2,5]thiadiazole-4-carbaldehyde, 7-Bromo-2,1,3-benzothiadiazole-4-carbaldehyde, 7-Bromo-4-formyl-2,1,3-benzothiadiazole, 7-bromo-2,1,3-benzothiadiazole-4-carboxaldehyde, 7-BROMOBENZO[1,25]THIOADIAZOLE-4-CARBALDEHYDE, EOS468, SCHEMBL1354892, VPDPNJVAWKCZEH-UHFFFAOYSA-N, BCP18668, MFCD23704428, ZINC95099978, AKOS030527487, CS-W004533, FCH2329882, AK549025, DA-48023, DS-19482, B5433, FT-0756118, 7-bromo-benzo[1,2,5]thiadiazole-4-carbaldehyde, 7-Bromo-benzo[c][1,2,5]thiadiazol-4-carbaldehyde, 7-Bromobenzo[c ][1,2,5] thiadiazole-4-carbaldehyde, 7-Bromo-2,1,3-benzothiadiazole-4-carboxaldehyde, >=97%,

Complexity	192
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	241.915g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	243.078g/mol
Monoisotopic Mass	241.915g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	71.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302
Precuationary statements	P280-P305+P351+P338
Siginal words

Certificate of Analysis

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