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1017778-05-0 | Phenol, 2-methyl-5-(trifluoromethyl)-
CAS No: 1017778-05-0 Catalog No: AG0005HJ MDL No:MFCD09832287
Product Description
Catalog Number:
AG0005HJ
Chemical Name:
Phenol, 2-methyl-5-(trifluoromethyl)-
CAS Number:
1017778-05-0
Molecular Formula:
C8H7F3O
Molecular Weight:
176.1358
MDL Number:
MFCD09832287
IUPAC Name:
2-methyl-5-(trifluoromethyl)phenol
InChI:
InChI=1S/C8H7F3O/c1-5-2-3-6(4-7(5)12)8(9,10)11/h2-4,12H,1H3
InChI Key:
CBWYZBGMPOIRBC-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1O)C(F)(F)F
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.045g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
176.138g/mol
Monoisotopic Mass:
176.045g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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