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Home > Fluorides > 138624-99-4
138624-99-4 | 3-Pyridinemethanol, α-(trifluoromethyl)-
CAS No: 138624-99-4 Catalog No: AG0018WX MDL No:MFCD16067922
Product Description
Catalog Number:
AG0018WX
Chemical Name:
3-Pyridinemethanol, α-(trifluoromethyl)-
CAS Number:
138624-99-4
Molecular Formula:
C7H6F3NO
Molecular Weight:
177.1238
MDL Number:
MFCD16067922
IUPAC Name:
2,2,2-trifluoro-1-pyridin-3-ylethanol
InChI:
InChI=1S/C7H6F3NO/c8-7(9,10)6(12)5-2-1-3-11-4-5/h1-4,6,12H
InChI Key:
LHXKPHQPUHHFQW-UHFFFAOYSA-N
SMILES:
OC(C(F)(F)F)c1cccnc1
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.04g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.126g/mol
Monoisotopic Mass:
177.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
33.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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