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113590-95-7 | Ethanone, 1-[4,5-bis(phenylmethoxy)-2-pyridinyl]-2-chloro-
CAS No: 113590-95-7 Catalog No: AG00092O MDL No:
Product Description
Catalog Number:
AG00092O
Chemical Name:
Ethanone, 1-[4,5-bis(phenylmethoxy)-2-pyridinyl]-2-chloro-
CAS Number:
113590-95-7
Molecular Formula:
C21H18ClNO3
Molecular Weight:
367.8255
IUPAC Name:
1-[4,5-bis(phenylmethoxy)pyridin-2-yl]-2-chloroethanone
InChI:
InChI=1S/C21H18ClNO3/c22-12-19(24)18-11-20(25-14-16-7-3-1-4-8-16)21(13-23-18)26-15-17-9-5-2-6-10-17/h1-11,13H,12,14-15H2
InChI Key:
BQZOMSQKKRKZMX-UHFFFAOYSA-N
SMILES:
ClCC(=O)c1ncc(c(c1)OCc1ccccc1)OCc1ccccc1
Properties
Complexity:
422
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.098g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
367.829g/mol
Monoisotopic Mass:
367.098g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
48.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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