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887625-72-1 | 2-Bromo-4-(3-(trifluoromethyl)phenyl)thiazole
CAS No: 887625-72-1 Catalog No: AG004D0C MDL No:MFCD09746514
Product Description
Catalog Number:
AG004D0C
Chemical Name:
2-Bromo-4-(3-(trifluoromethyl)phenyl)thiazole
CAS Number:
887625-72-1
Molecular Formula:
C10H5BrF3NS
Molecular Weight:
308.1176
MDL Number:
MFCD09746514
IUPAC Name:
2-bromo-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole
InChI:
InChI=1S/C10H5BrF3NS/c11-9-15-8(5-16-9)6-2-1-3-7(4-6)10(12,13)14/h1-5H
InChI Key:
JPNCKZXQPZPKPK-UHFFFAOYSA-N
SMILES:
Brc1scc(n1)c1cccc(c1)C(F)(F)F
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.928g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.116g/mol
Monoisotopic Mass:
306.928g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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