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2,6-Difluoroanilino(oxo)acetic acid

Catalog Number
ACM1018295425
Product Name
2,6-Difluoroanilino(oxo)acetic acid
CAS
1018295-42-5
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Synonyms
1018295-42-5;2-((2,6-Difluorophenyl)amino)-2-oxoacetic acid;2,6-Difluoroanilino(oxo)acetic acid;[(2,6-difluorophenyl)carbamoyl]formic acid;MFCD10018517;ZINC20185200;AS-55056;
IUPAC Name
2-(2,6-difluoroanilino)-2-oxoacetic acid;
Molecular Weight
201.129g/mol
Molecular Formula
C8H5F2NO3;
SMILES
C1=CC(=C(C(=C1)F)NC(=O)C(=O)O)F;
InChI
InChI=1S/C8H5F2NO3/c9-4-2-1-3-5(10)6(4)11-7(12)8(13)14/h1-3H,(H,11,12)(H,13,14);
InChI Key
XKMPHIMGYLKQKV-UHFFFAOYSA-N;
Complexity
237
Covalently-Bonded Unit Count
1
Exact Mass
201.024g/mol
H-Bond Acceptor
5
H-Bond Donor
2
Heavy Atom Count
14
Monoisotopic Mass
201.024g/mol
Rotatable Bond Count
2
Topological Polar Surface Area
66.4A^2
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