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1145671-38-0 | Propanoic acid, 2,2-dimethyl-, 4-chloro-7-hydroxy-6-quinazolinyl ester
CAS No: 1145671-38-0 Catalog No: AG000EPI MDL No:
Product Description
Catalog Number:
AG000EPI
Chemical Name:
Propanoic acid, 2,2-dimethyl-, 4-chloro-7-hydroxy-6-quinazolinyl ester
CAS Number:
1145671-38-0
Molecular Formula:
C13H13ClN2O3
Molecular Weight:
280.7069
IUPAC Name:
(4-chloro-7-hydroxyquinazolin-6-yl) 2,2-dimethylpropanoate
InChI:
InChI=1S/C13H13ClN2O3/c1-13(2,3)12(18)19-10-4-7-8(5-9(10)17)15-6-16-11(7)14/h4-6,17H,1-3H3
InChI Key:
QHCBJLQPMHZHEY-UHFFFAOYSA-N
SMILES:
O=C(C(C)(C)C)Oc1cc2c(Cl)ncnc2cc1O
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.061g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.708g/mol
Monoisotopic Mass:
280.061g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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