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Home > Bromides > 1019108-46-3
1019108-46-3 | Benzothiazole, 2-bromo-4,7-difluoro-
CAS No: 1019108-46-3 Catalog No: AG0005XV MDL No:
Product Description
Catalog Number:
AG0005XV
Chemical Name:
Benzothiazole, 2-bromo-4,7-difluoro-
CAS Number:
1019108-46-3
Molecular Formula:
C7H2BrF2NS
Molecular Weight:
250.0633
IUPAC Name:
2-bromo-4,7-difluoro-1,3-benzothiazole
InChI:
InChI=1S/C7H2BrF2NS/c8-7-11-5-3(9)1-2-4(10)6(5)12-7/h1-2H
InChI Key:
BHRJHBMBUFVOFV-UHFFFAOYSA-N
SMILES:
Brc1nc2c(s1)c(F)ccc2F
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.906g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.061g/mol
Monoisotopic Mass:
248.906g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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