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161330-30-9 | Benzeneacetic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-2-fluoro-
CAS No: 161330-30-9 Catalog No: AG001SD3 MDL No:MFCD02682469
Product Description
Catalog Number:
AG001SD3
Chemical Name:
Benzeneacetic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-2-fluoro-
CAS Number:
161330-30-9
Molecular Formula:
C13H16FNO4
Molecular Weight:
269.2688
MDL Number:
MFCD02682469
IUPAC Name:
2-(2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
InChI:
InChI=1S/C13H16FNO4/c1-13(2,3)19-12(18)15-10(11(16)17)8-6-4-5-7-9(8)14/h4-7,10H,1-3H3,(H,15,18)(H,16,17)
InChI Key:
IUFATHQIUYUCFE-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC(c1ccccc1F)C(=O)O
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.106g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
269.272g/mol
Monoisotopic Mass:
269.106g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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