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130627-14-4 | Ethanone, 2-[(2-aminobenzoyl)oxy]-1-[1,1'-biphenyl]-4-yl-
CAS No: 130627-14-4 Catalog No: AG000UPY MDL No:
Product Description
Catalog Number:
AG000UPY
Chemical Name:
Ethanone, 2-[(2-aminobenzoyl)oxy]-1-[1,1'-biphenyl]-4-yl-
CAS Number:
130627-14-4
Molecular Formula:
C21H17NO3
Molecular Weight:
331.3646
IUPAC Name:
[2-oxo-2-(4-phenylphenyl)ethyl] 2-aminobenzoate
InChI:
InChI=1S/C21H17NO3/c22-19-9-5-4-8-18(19)21(24)25-14-20(23)17-12-10-16(11-13-17)15-6-2-1-3-7-15/h1-13H,14,22H2
InChI Key:
WRDRNNKQEWQAHW-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)c1ccccc1)COC(=O)c1ccccc1N
NSC Number:
115834
Properties
Complexity:
450
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.121g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
331.371g/mol
Monoisotopic Mass:
331.121g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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