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139625-85-7 | Phenol, 2-chloro-5-(trifluoromethoxy)-
CAS No: 139625-85-7 Catalog No: AG001BEZ MDL No:MFCD15527438
Product Description
Catalog Number:
AG001BEZ
Chemical Name:
Phenol, 2-chloro-5-(trifluoromethoxy)-
CAS Number:
139625-85-7
Molecular Formula:
C7H4ClF3O2
Molecular Weight:
212.5537
MDL Number:
MFCD15527438
IUPAC Name:
2-chloro-5-(trifluoromethoxy)phenol
InChI:
InChI=1S/C7H4ClF3O2/c8-5-2-1-4(3-6(5)12)13-7(9,10)11/h1-3,12H
InChI Key:
UKASVHZCKSRNNA-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1O)OC(F)(F)F
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.985g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.552g/mol
Monoisotopic Mass:
211.985g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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