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889946-51-4 | Methyl 4'-amino-3'-fluoro[1,1'-biphenyl]-3-carboxylate
CAS No: 889946-51-4 Catalog No: AG01F849 MDL No:
Product Description
Catalog Number:
AG01F849
Chemical Name:
Methyl 4'-amino-3'-fluoro[1,1'-biphenyl]-3-carboxylate
CAS Number:
889946-51-4
Molecular Formula:
C14H12FNO2
Molecular Weight:
245.2490
IUPAC Name:
methyl 3-(4-amino-3-fluorophenyl)benzoate
InChI:
InChI=1S/C14H12FNO2/c1-18-14(17)11-4-2-3-9(7-11)10-5-6-13(16)12(15)8-10/h2-8H,16H2,1H3
InChI Key:
VYXFOKMDARXQOI-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc(c1)c1ccc(c(c1)F)N
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.085g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.253g/mol
Monoisotopic Mass:
245.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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