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129676-67-1 | Phenol, 2-methyl-4-(trifluoromethoxy)-
CAS No: 129676-67-1 Catalog No: AG000TL1 MDL No:MFCD04972927
Product Description
Catalog Number:
AG000TL1
Chemical Name:
Phenol, 2-methyl-4-(trifluoromethoxy)-
CAS Number:
129676-67-1
Molecular Formula:
C8H7F3O2
Molecular Weight:
192.1352
MDL Number:
MFCD04972927
IUPAC Name:
2-methyl-4-(trifluoromethoxy)phenol
InChI:
InChI=1S/C8H7F3O2/c1-5-4-6(2-3-7(5)12)13-8(9,10)11/h2-4,12H,1H3
InChI Key:
QMIXWHAIFDQEDH-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1C)OC(F)(F)F
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.04g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
192.137g/mol
Monoisotopic Mass:
192.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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