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87967-36-0 | Acetic acid, [[4-(difluoromethoxy)phenyl]amino]oxo-, methyl ester
CAS No: 87967-36-0 Catalog No: AG004D3R MDL No:
Product Description
Catalog Number:
AG004D3R
Chemical Name:
Acetic acid, [[4-(difluoromethoxy)phenyl]amino]oxo-, methyl ester
CAS Number:
87967-36-0
Molecular Formula:
C10H9F2NO4
Molecular Weight:
245.1796
IUPAC Name:
methyl 2-[4-(difluoromethoxy)anilino]-2-oxoacetate
InChI:
InChI=1S/C10H9F2NO4/c1-16-9(15)8(14)13-6-2-4-7(5-3-6)17-10(11)12/h2-5,10H,1H3,(H,13,14)
InChI Key:
HKNMSIKZHKDGLN-UHFFFAOYSA-N
SMILES:
COC(=O)C(=O)Nc1ccc(cc1)OC(F)F
Properties
Complexity:
278
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:
1
Isotope Atom Count:
0
Molecular Weight:
245.182g/mol
Monoisotopic Mass:
245.05g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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