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1227502-97-7 | 3-Pyridinemethanol, 2-chloro-4-(trifluoromethyl)-
CAS No: 1227502-97-7 Catalog No: AG000J9T MDL No:MFCD16610729
Product Description
Catalog Number:
AG000J9T
Chemical Name:
3-Pyridinemethanol, 2-chloro-4-(trifluoromethyl)-
CAS Number:
1227502-97-7
Molecular Formula:
C7H5ClF3NO
Molecular Weight:
211.5689
MDL Number:
MFCD16610729
IUPAC Name:
[2-chloro-4-(trifluoromethyl)pyridin-3-yl]methanol
InChI:
InChI=1S/C7H5ClF3NO/c8-6-4(3-13)5(1-2-12-6)7(9,10)11/h1-2,13H,3H2
InChI Key:
FNEOFCQITLTNEO-UHFFFAOYSA-N
SMILES:
OCc1c(Cl)nccc1C(F)(F)F
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.001g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.568g/mol
Monoisotopic Mass:
211.001g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
33.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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