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1198416-90-8 | 2-Pyridinemethanol, 3-(trifluoromethyl)-, hydrochloride (1:1)
CAS No: 1198416-90-8 Catalog No: AG000PRX MDL No:MFCD09788584
Product Description
Catalog Number:
AG000PRX
Chemical Name:
2-Pyridinemethanol, 3-(trifluoromethyl)-, hydrochloride (1:1)
CAS Number:
1198416-90-8
Molecular Formula:
C7H7ClF3NO
Molecular Weight:
213.5848
MDL Number:
MFCD09788584
IUPAC Name:
[3-(trifluoromethyl)pyridin-2-yl]methanol;hydrochloride
InChI:
InChI=1S/C7H6F3NO.ClH/c8-7(9,10)5-2-1-3-11-6(5)4-12;/h1-3,12H,4H2;1H
InChI Key:
LWAJBDLVFYBKRG-UHFFFAOYSA-N
SMILES:
OCc1ncccc1C(F)(F)F.Cl
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.017g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
213.584g/mol
Monoisotopic Mass:
213.017g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
33.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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