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141940-32-1 | Benzoic acid, 5-[[(1,1-dimethylethoxy)carbonyl]amino]-2-fluoro-
CAS No: 141940-32-1 Catalog No: AG001HET MDL No:MFCD12525335
Product Description
Catalog Number:
AG001HET
Chemical Name:
Benzoic acid, 5-[[(1,1-dimethylethoxy)carbonyl]amino]-2-fluoro-
CAS Number:
141940-32-1
Molecular Formula:
C12H14FNO4
Molecular Weight:
255.2423
MDL Number:
MFCD12525335
IUPAC Name:
2-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
InChI:
InChI=1S/C12H14FNO4/c1-12(2,3)18-11(17)14-7-4-5-9(13)8(6-7)10(15)16/h4-6H,1-3H3,(H,14,17)(H,15,16)
InChI Key:
VUEMWLXHFTXNLL-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1ccc(c(c1)C(=O)O)F
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.091g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
255.245g/mol
Monoisotopic Mass:
255.091g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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