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875143-35-4 | 2-Bromo-4-trifluoromethoxybenzenethiol
CAS No: 875143-35-4 Catalog No: AG01EY23 MDL No:MFCD12026150
Product Description
Catalog Number:
AG01EY23
Chemical Name:
2-Bromo-4-trifluoromethoxybenzenethiol
CAS Number:
875143-35-4
Molecular Formula:
C7H4BrF3OS
Molecular Weight:
273.0703
MDL Number:
MFCD12026150
IUPAC Name:
2-bromo-4-(trifluoromethoxy)benzenethiol
InChI:
InChI=1S/C7H4BrF3OS/c8-5-3-4(1-2-6(5)13)12-7(9,10)11/h1-3,13H
InChI Key:
DJISZHJXQXZZTM-UHFFFAOYSA-N
SMILES:
Sc1ccc(cc1Br)OC(F)(F)F
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.912g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.067g/mol
Monoisotopic Mass:
271.912g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
10.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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