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60877-19-2 | 2-Bromo-5-trifluoromethylbenzenethiol
CAS No: 60877-19-2 Catalog No: AG01EWMW MDL No:MFCD12026126
Product Description
Catalog Number:
AG01EWMW
Chemical Name:
2-Bromo-5-trifluoromethylbenzenethiol
CAS Number:
60877-19-2
Molecular Formula:
C7H4BrF3S
Molecular Weight:
257.0709
MDL Number:
MFCD12026126
IUPAC Name:
2-bromo-5-(trifluoromethyl)benzenethiol
InChI:
InChI=1S/C7H4BrF3S/c8-5-2-1-4(3-6(5)12)7(9,10)11/h1-3,12H
InChI Key:
ZXVCDJUEVOLNEV-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1S)C(F)(F)F
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.917g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.068g/mol
Monoisotopic Mass:
255.917g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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