1,1,1-trichloro-3-pyridin-4-ylpropan-2-ol


Chemical Name: 1,1,1-trichloro-3-pyridin-4-ylpropan-2-ol
CAS Number: 10129-56-3
Product Number: AG00045X(AGN-PC-0JND6C)
Synonyms:
MDL No: MFCD00177920
Molecular Formula: C8H8Cl3NO
Molecular Weight: 240.5142

Identification/Properties


Computed Properties
Molecular Weight:
240.508g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
238.967g/mol
Monoisotopic Mass:
238.967g/mol
Topological Polar Surface Area:
33.1A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
154
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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