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80673-02-5 | 2-Pyridinemethanol, a-(trichloromethyl)-
CAS No: 80673-02-5 Catalog No: AG005JZL MDL No:MFCD00461561
Product Description
Catalog Number:
AG005JZL
Chemical Name:
2-Pyridinemethanol, a-(trichloromethyl)-
CAS Number:
80673-02-5
Molecular Formula:
C7H6Cl3NO
Molecular Weight:
226.4876
MDL Number:
MFCD00461561
IUPAC Name:
2,2,2-trichloro-1-pyridin-2-ylethanol
InChI:
InChI=1S/C7H6Cl3NO/c8-7(9,10)6(12)5-3-1-2-4-11-5/h1-4,6,12H
InChI Key:
VQQUQMTWROHDAY-UHFFFAOYSA-N
SMILES:
OC(C(Cl)(Cl)Cl)c1ccccn1
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.951g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.481g/mol
Monoisotopic Mass:
224.951g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
33.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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