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823793-38-0 | 5-Pyrimidinecarboxylic acid, 2-phenyl-4-(1H-pyrrol-1-yl)-, ethyl ester
CAS No: 823793-38-0 Catalog No: AG0053ER MDL No:
Product Description
Catalog Number:
AG0053ER
Chemical Name:
5-Pyrimidinecarboxylic acid, 2-phenyl-4-(1H-pyrrol-1-yl)-, ethyl ester
CAS Number:
823793-38-0
Molecular Formula:
C17H15N3O2
Molecular Weight:
293.3199
IUPAC Name:
ethyl 2-phenyl-4-pyrrol-1-ylpyrimidine-5-carboxylate
InChI:
InChI=1S/C17H15N3O2/c1-2-22-17(21)14-12-18-15(13-8-4-3-5-9-13)19-16(14)20-10-6-7-11-20/h3-12H,2H2,1H3
InChI Key:
DFIWDYFBVUEFII-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnc(nc1n1cccc1)c1ccccc1
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.116g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.326g/mol
Monoisotopic Mass:
293.116g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
57A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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