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830325-98-9 | 2,1,3-Benzothiadiazole, 4-bromo-7-phenyl-
CAS No: 830325-98-9 Catalog No: AG005DA5 MDL No:
Product Description
Catalog Number:
AG005DA5
Chemical Name:
2,1,3-Benzothiadiazole, 4-bromo-7-phenyl-
CAS Number:
830325-98-9
Molecular Formula:
C12H7BrN2S
Molecular Weight:
291.1664
IUPAC Name:
4-bromo-7-phenyl-2,1,3-benzothiadiazole
InChI:
InChI=1S/C12H7BrN2S/c13-10-7-6-9(8-4-2-1-3-5-8)11-12(10)15-16-14-11/h1-7H
InChI Key:
FRVGRMXVSANGMD-UHFFFAOYSA-N
SMILES:
Brc1ccc(c2c1nsn2)c1ccccc1
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.951g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.166g/mol
Monoisotopic Mass:
289.951g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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