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1194760-60-5 | Benzenemethanol, 2,4-dichloro-α-(trifluoromethyl)-
CAS No: 1194760-60-5 Catalog No: AG000IUO MDL No:
Product Description
Catalog Number:
AG000IUO
Chemical Name:
Benzenemethanol, 2,4-dichloro-α-(trifluoromethyl)-
CAS Number:
1194760-60-5
Molecular Formula:
C8H5Cl2F3O
Molecular Weight:
245.0259
IUPAC Name:
1-(2,4-dichlorophenyl)-2,2,2-trifluoroethanol
InChI:
InChI=1S/C8H5Cl2F3O/c9-4-1-2-5(6(10)3-4)7(14)8(11,12)13/h1-3,7,14H
InChI Key:
PVMHQZFWMAORFX-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)Cl)C(C(F)(F)F)O
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.967g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.022g/mol
Monoisotopic Mass:
243.967g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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