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261763-20-6 | Benzenemethanol, 2-chloro-3-(trifluoromethyl)-
CAS No: 261763-20-6 Catalog No: AG002S1G MDL No:MFCD01631537
Product Description
Catalog Number:
AG002S1G
Chemical Name:
Benzenemethanol, 2-chloro-3-(trifluoromethyl)-
CAS Number:
261763-20-6
Molecular Formula:
C8H6ClF3O
Molecular Weight:
210.5808
MDL Number:
MFCD01631537
IUPAC Name:
[2-chloro-3-(trifluoromethyl)phenyl]methanol
InChI:
InChI=1S/C8H6ClF3O/c9-7-5(4-13)2-1-3-6(7)8(10,11)12/h1-3,13H,4H2
InChI Key:
MQUXXVLMXCHGDZ-UHFFFAOYSA-N
SMILES:
OCc1cccc(c1Cl)C(F)(F)F
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.006g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
210.58g/mol
Monoisotopic Mass:
210.006g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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