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842959-64-2

842959-64-2 | (QUINAZOLIN-4-YLOXY)ACETIC ACID

CAS No: 842959-64-2 Catalog No: AG004XZ0 MDL No:MFCD06740816

Product Description

Catalog Number:
AG004XZ0
Chemical Name:
(QUINAZOLIN-4-YLOXY)ACETIC ACID
CAS Number:
842959-64-2
Molecular Formula:
C10H8N2O3
Molecular Weight:
204.1821
MDL Number:
MFCD06740816
IUPAC Name:
2-quinazolin-4-yloxyacetic acid
InChI:
InChI=1S/C10H8N2O3/c13-9(14)5-15-10-7-3-1-2-4-8(7)11-6-12-10/h1-4,6H,5H2,(H,13,14)
InChI Key:
ILCNFBGYXLMVEH-UHFFFAOYSA-N
SMILES:
OC(=O)COc1ncnc2c1cccc2

Properties

Complexity:
235  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.053g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
204.185g/mol
Monoisotopic Mass:
204.053g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
72.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  

Literature

Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101

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