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62247-00-1 | AKOS 90145
CAS No: 62247-00-1 Catalog No: AG00EEC0 MDL No:MFCD01108847
Product Description
Catalog Number:
AG00EEC0
Chemical Name:
AKOS 90145
CAS Number:
62247-00-1
Molecular Formula:
C12H8ClNO
Molecular Weight:
217.6510
MDL Number:
MFCD01108847
IUPAC Name:
(3-chlorophenyl)-pyridin-3-ylmethanone
InChI:
InChI=1S/C12H8ClNO/c13-11-5-1-3-9(7-11)12(15)10-4-2-6-14-8-10/h1-8H
InChI Key:
MDGKXQYPOIIMHW-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)C(=O)c1cccnc1
Properties
Complexity:
232
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:
2.5
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