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179688-54-1 | 6-Quinazolinol, 4-chloro-7-methoxy-, 6-acetate, hydrochloride (1:1)
CAS No: 179688-54-1 Catalog No: AG00276X MDL No:MFCD12761613
Product Description
Catalog Number:
AG00276X
Chemical Name:
6-Quinazolinol, 4-chloro-7-methoxy-, 6-acetate, hydrochloride (1:1)
CAS Number:
179688-54-1
Molecular Formula:
C11H10Cl2N2O3
Molecular Weight:
289.1147
MDL Number:
MFCD12761613
IUPAC Name:
(4-chloro-7-methoxyquinazolin-6-yl) acetate;hydrochloride
InChI:
InChI=1S/C11H9ClN2O3.ClH/c1-6(15)17-10-3-7-8(4-9(10)16-2)13-5-14-11(7)12;/h3-5H,1-2H3;1H
InChI Key:
DSYIUUXIRMLRQU-UHFFFAOYSA-N
SMILES:
COc1cc2ncnc(c2cc1OC(=O)C)Cl.Cl
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.007g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
289.112g/mol
Monoisotopic Mass:
288.007g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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