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Home Other Building Blocks 2-{[2-(difluoromethoxy)phenyl]formamido}acetic acid

2-{[2-(difluoromethoxy)phenyl]formamido}acetic acid

CAS No.:
302806-11-7
Catalog Number:
AG019P2Z
Molecular Formula:
C10H9F2NO4
Molecular Weight:
245.1796
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Product Description
Catalog Number:
AG019P2Z
Chemical Name:
2-{[2-(difluoromethoxy)phenyl]formamido}acetic acid
CAS Number:
302806-11-7
Molecular Formula:
C10H9F2NO4
Molecular Weight:
245.1796
MDL Number:
MFCD02166057
IUPAC Name:
2-[[2-(difluoromethoxy)benzoyl]amino]acetic acid
InChI:
InChI=1S/C10H9F2NO4/c11-10(12)17-7-4-2-1-3-6(7)9(16)13-5-8(14)15/h1-4,10H,5H2,(H,13,16)(H,14,15)
InChI Key:
IXIDDWPLZUIVEX-UHFFFAOYSA-N
SMILES:
OC(=O)CNC(=O)c1ccccc1OC(F)F
Properties
Complexity:
286  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.05g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
245.182g/mol
Monoisotopic Mass:
245.05g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties