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877609-21-7 | Benzamide, 4-chloro-3-(phenylethynyl)-N-3-pyridinyl-
CAS No: 877609-21-7 Catalog No: AG004FLK MDL No:
Product Description
Catalog Number:
AG004FLK
Chemical Name:
Benzamide, 4-chloro-3-(phenylethynyl)-N-3-pyridinyl-
CAS Number:
877609-21-7
Molecular Formula:
C20H13ClN2O
Molecular Weight:
332.7830
IUPAC Name:
4-chloro-3-(2-phenylethynyl)-N-pyridin-3-ylbenzamide
InChI:
InChI=1S/C20H13ClN2O/c21-19-11-10-17(20(24)23-18-7-4-12-22-14-18)13-16(19)9-8-15-5-2-1-3-6-15/h1-7,10-14H,(H,23,24)
InChI Key:
PNPDYWYNXXNDGE-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(c(c1)C#Cc1ccccc1)Cl)Nc1cccnc1
Properties
Complexity:
488
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.072g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
332.787g/mol
Monoisotopic Mass:
332.072g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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