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179688-03-0 | 7-Quinazolinol, 4-chloro-6-methoxy-, 7-acetate
CAS No: 179688-03-0 Catalog No: AG002774 MDL No:MFCD08460969
Product Description
Catalog Number:
AG002774
Chemical Name:
7-Quinazolinol, 4-chloro-6-methoxy-, 7-acetate
CAS Number:
179688-03-0
Molecular Formula:
C11H9ClN2O3
Molecular Weight:
252.6538
MDL Number:
MFCD08460969
IUPAC Name:
(4-chloro-6-methoxyquinazolin-7-yl) acetate
InChI:
InChI=1S/C11H9ClN2O3/c1-6(15)17-10-4-8-7(3-9(10)16-2)11(12)14-5-13-8/h3-5H,1-2H3
InChI Key:
SDLKYGFWIOTIHR-UHFFFAOYSA-N
SMILES:
COc1cc2c(Cl)ncnc2cc1OC(=O)C
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.03g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.654g/mol
Monoisotopic Mass:
252.03g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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