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142056-31-3 | Pyrimidine, 4-(3-chlorophenyl)-2-phenyl-5-(1-propyn-1-yloxy)-
CAS No: 142056-31-3 Catalog No: AG001HNY MDL No:
Product Description
Catalog Number:
AG001HNY
Chemical Name:
Pyrimidine, 4-(3-chlorophenyl)-2-phenyl-5-(1-propyn-1-yloxy)-
CAS Number:
142056-31-3
Molecular Formula:
C19H13ClN2O
Molecular Weight:
320.7723
IUPAC Name:
4-(3-chlorophenyl)-2-phenyl-5-prop-1-ynoxypyrimidine
InChI:
InChI=1S/C19H13ClN2O/c1-2-11-23-17-13-21-19(14-7-4-3-5-8-14)22-18(17)15-9-6-10-16(20)12-15/h3-10,12-13H,1H3
InChI Key:
MRZPVRJKFSHVAN-UHFFFAOYSA-N
SMILES:
CC#COc1cnc(nc1c1cccc(c1)Cl)c1ccccc1
Properties
Complexity:
437
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.072g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.776g/mol
Monoisotopic Mass:
320.072g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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