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Home > Bromides > 1019108-45-2
1019108-45-2 | Benzothiazole, 2-bromo-7-fluoro-4-methyl-
CAS No: 1019108-45-2 Catalog No: AG0005WV MDL No:MFCD09749155
Product Description
Catalog Number:
AG0005WV
Chemical Name:
Benzothiazole, 2-bromo-7-fluoro-4-methyl-
CAS Number:
1019108-45-2
Molecular Formula:
C8H5BrFNS
Molecular Weight:
246.0994
MDL Number:
MFCD09749155
IUPAC Name:
2-bromo-7-fluoro-4-methyl-1,3-benzothiazole
InChI:
InChI=1S/C8H5BrFNS/c1-4-2-3-5(10)7-6(4)11-8(9)12-7/h2-3H,1H3
InChI Key:
LRXXSJHRMSCSGX-UHFFFAOYSA-N
SMILES:
Brc1sc2c(n1)c(C)ccc2F
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.931g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.097g/mol
Monoisotopic Mass:
244.931g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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