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1380300-66-2 | Ethyl 1-(quinazolin-4-yl)-1H-pyrazole-4-carboxylate
CAS No: 1380300-66-2 Catalog No: AG01F8SP MDL No:
Product Description
Catalog Number:
AG01F8SP
Chemical Name:
Ethyl 1-(quinazolin-4-yl)-1H-pyrazole-4-carboxylate
CAS Number:
1380300-66-2
Molecular Formula:
C14H12N4O2
Molecular Weight:
268.2707
IUPAC Name:
ethyl 1-quinazolin-4-ylpyrazole-4-carboxylate
InChI:
InChI=1S/C14H12N4O2/c1-2-20-14(19)10-7-17-18(8-10)13-11-5-3-4-6-12(11)15-9-16-13/h3-9H,2H2,1H3
InChI Key:
VJJMPLBZRHVURU-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnn(c1)c1ncnc2c1cccc2
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.096g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.276g/mol
Monoisotopic Mass:
268.096g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
69.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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