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1012057-26-9

1012057-26-9 | Heptanoic acid, 7-[(4-chloro-7-methoxy-6-quinazolinyl)oxy]-, ethyl ester

CAS No: 1012057-26-9 Catalog No: AG0003Y6 MDL No:MFCD23135642

Product Description

Catalog Number:
AG0003Y6
Chemical Name:
Heptanoic acid, 7-[(4-chloro-7-methoxy-6-quinazolinyl)oxy]-, ethyl ester
CAS Number:
1012057-26-9
Molecular Formula:
C18H23ClN2O4
Molecular Weight:
366.8392
MDL Number:
MFCD23135642
IUPAC Name:
ethyl 7-(4-chloro-7-methoxyquinazolin-6-yl)oxyheptanoate
InChI:
InChI=1S/C18H23ClN2O4/c1-3-24-17(22)8-6-4-5-7-9-25-16-10-13-14(11-15(16)23-2)20-12-21-18(13)19/h10-12H,3-9H2,1-2H3
InChI Key:
XPYIGLNPWGXMJX-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCCCCOc1cc2c(Cl)ncnc2cc1OC

Properties

Complexity:
399  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
366.135g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
366.842g/mol
Monoisotopic Mass:
366.135g/mol
Rotatable Bond Count:
11  
Topological Polar Surface Area:
70.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2  

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