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Home > Aldehydes > 176433-57-1
176433-57-1 | 3-Pyridinecarboxaldehyde, 2-chloro-5-phenyl-
CAS No: 176433-57-1 Catalog No: AG0024O6 MDL No:
Product Description
Catalog Number:
AG0024O6
Chemical Name:
3-Pyridinecarboxaldehyde, 2-chloro-5-phenyl-
CAS Number:
176433-57-1
Molecular Formula:
C12H8ClNO
Molecular Weight:
217.6510
IUPAC Name:
2-chloro-5-phenylpyridine-3-carbaldehyde
InChI:
InChI=1S/C12H8ClNO/c13-12-11(8-15)6-10(7-14-12)9-4-2-1-3-5-9/h1-8H
InChI Key:
QBFNWWRKCSBZHD-UHFFFAOYSA-N
SMILES:
O=Cc1cc(cnc1Cl)c1ccccc1
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.029g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.652g/mol
Monoisotopic Mass:
217.029g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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