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102771-00-6 | PHENOL, 2-IODO-5-(TRIFLUOROMETHYL)-
CAS No: 102771-00-6 Catalog No: AG0008CO MDL No:MFCD13186736
Product Description
Catalog Number:
AG0008CO
Chemical Name:
PHENOL, 2-IODO-5-(TRIFLUOROMETHYL)-
CAS Number:
102771-00-6
Molecular Formula:
C7H4F3IO
Molecular Weight:
288.0057
MDL Number:
MFCD13186736
IUPAC Name:
2-iodo-5-(trifluoromethyl)phenol
InChI:
InChI=1S/C7H4F3IO/c8-7(9,10)4-1-2-5(11)6(12)3-4/h1-3,12H
InChI Key:
CWSAPAHVCIIVDH-UHFFFAOYSA-N
SMILES:
Ic1ccc(cc1O)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:
287.926g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
288.008g/mol
Monoisotopic Mass:
287.926g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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