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123374-23-2 | Acetic acid, 2-[4-(acetylamino)-3-fluorophenoxy]-
CAS No: 123374-23-2 Catalog No: AG000KH4 MDL No:
Product Description
Catalog Number:
AG000KH4
Chemical Name:
Acetic acid, 2-[4-(acetylamino)-3-fluorophenoxy]-
CAS Number:
123374-23-2
Molecular Formula:
C10H10FNO4
Molecular Weight:
227.1891
IUPAC Name:
2-(4-acetamido-3-fluorophenoxy)acetic acid
InChI:
InChI=1S/C10H10FNO4/c1-6(13)12-9-3-2-7(4-8(9)11)16-5-10(14)15/h2-4H,5H2,1H3,(H,12,13)(H,14,15)
InChI Key:
BKWLNJCWKBFINN-UHFFFAOYSA-N
SMILES:
OC(=O)COc1ccc(c(c1)F)NC(=O)C
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.059g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
227.191g/mol
Monoisotopic Mass:
227.059g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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