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1261822-74-5 | Benzenemethanol, 2-chloro-4-(trifluoromethoxy)-
CAS No: 1261822-74-5 Catalog No: AG000S0T MDL No:MFCD18393815
Product Description
Catalog Number:
AG000S0T
Chemical Name:
Benzenemethanol, 2-chloro-4-(trifluoromethoxy)-
CAS Number:
1261822-74-5
Molecular Formula:
C8H6ClF3O2
Molecular Weight:
226.5802
MDL Number:
MFCD18393815
IUPAC Name:
[2-chloro-4-(trifluoromethoxy)phenyl]methanol
InChI:
InChI=1S/C8H6ClF3O2/c9-7-3-6(14-8(10,11)12)2-1-5(7)4-13/h1-3,13H,4H2
InChI Key:
YWLMKHWUAXCYKJ-UHFFFAOYSA-N
SMILES:
OCc1ccc(cc1Cl)OC(F)(F)F
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.001g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.579g/mol
Monoisotopic Mass:
226.001g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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