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Home > Bromides > 1427399-19-6
1427399-19-6 | 2-Bromo-4-fluoro-1,3-benzothiazole-6-carbonitrile
CAS No: 1427399-19-6 Catalog No: AG01FL7E MDL No:
Product Description
Catalog Number:
AG01FL7E
Chemical Name:
2-Bromo-4-fluoro-1,3-benzothiazole-6-carbonitrile
CAS Number:
1427399-19-6
Molecular Formula:
C8H2BrFN2S
Molecular Weight:
257.0823
IUPAC Name:
2-bromo-4-fluoro-1,3-benzothiazole-6-carbonitrile
InChI:
InChI=1S/C8H2BrFN2S/c9-8-12-7-5(10)1-4(3-11)2-6(7)13-8/h1-2H
InChI Key:
YNEOGAKFTQOFJZ-UHFFFAOYSA-N
SMILES:
Fc1cc(cc2c1nc(s2)Br)C#N
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.911g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.08g/mol
Monoisotopic Mass:
255.911g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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