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228401-48-7 | 2-Amino-4-[(trifluoromethyl)thio]phenol
CAS No: 228401-48-7 Catalog No: AG0039YQ MDL No:
Product Description
Catalog Number:
AG0039YQ
Chemical Name:
2-Amino-4-[(trifluoromethyl)thio]phenol
CAS Number:
228401-48-7
Molecular Formula:
C7H6F3NOS
Molecular Weight:
209.1888
IUPAC Name:
2-amino-4-(trifluoromethylsulfanyl)phenol
InChI:
InChI=1S/C7H6F3NOS/c8-7(9,10)13-4-1-2-6(12)5(11)3-4/h1-3,12H,11H2
InChI Key:
DJYRPQFDXPTWKU-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1N)SC(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:
209.012g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
209.186g/mol
Monoisotopic Mass:
209.012g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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