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830317-05-0 | 3-Pyridinol, 4-[(E)-[(4-chlorophenyl)imino]methyl]-
CAS No: 830317-05-0 Catalog No: AG005DJK MDL No:
Product Description
Catalog Number:
AG005DJK
Chemical Name:
3-Pyridinol, 4-[(E)-[(4-chlorophenyl)imino]methyl]-
CAS Number:
830317-05-0
Molecular Formula:
C12H9ClN2O
Molecular Weight:
232.6657
IUPAC Name:
4-[(4-chlorophenyl)iminomethyl]pyridin-3-ol
InChI:
InChI=1S/C12H9ClN2O/c13-10-1-3-11(4-2-10)15-7-9-5-6-14-8-12(9)16/h1-8,16H
InChI Key:
LELGBVAOXDGVFQ-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)/N=C/c1ccncc1O
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.04g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.667g/mol
Monoisotopic Mass:
232.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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