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174842-56-9 | Pyrazolo[1,5-a]quinazoline-3-carboxylic acid, 5-chloro-, ethyl ester
CAS No: 174842-56-9 Catalog No: AG00200B MDL No:MFCD00173942
Product Description
Catalog Number:
AG00200B
Chemical Name:
Pyrazolo[1,5-a]quinazoline-3-carboxylic acid, 5-chloro-, ethyl ester
CAS Number:
174842-56-9
Molecular Formula:
C13H10ClN3O2
Molecular Weight:
275.6904
MDL Number:
MFCD00173942
IUPAC Name:
ethyl 5-chloropyrazolo[1,5-a]quinazoline-3-carboxylate
InChI:
InChI=1S/C13H10ClN3O2/c1-2-19-13(18)9-7-15-17-10-6-4-3-5-8(10)11(14)16-12(9)17/h3-7H,2H2,1H3
InChI Key:
BIJDJCYFVGJPAY-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnn2c1nc(Cl)c1c2cccc1
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.046g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.692g/mol
Monoisotopic Mass:
275.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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