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7504-88-3 | (3-benzamidophenyl) benzoate
CAS No: 7504-88-3 Catalog No: AG005ENL MDL No:
Product Description
Catalog Number:
AG005ENL
Chemical Name:
(3-benzamidophenyl) benzoate
CAS Number:
7504-88-3
Molecular Formula:
C20H15NO3
Molecular Weight:
317.3380
IUPAC Name:
(3-benzamidophenyl) benzoate
InChI:
InChI=1S/C20H15NO3/c22-19(15-8-3-1-4-9-15)21-17-12-7-13-18(14-17)24-20(23)16-10-5-2-6-11-16/h1-14H,(H,21,22)
InChI Key:
XOEOCDRIMVRQCF-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)Nc1cccc(c1)OC(=O)c1ccccc1
NSC Number:
404806
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.105g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
317.344g/mol
Monoisotopic Mass:
317.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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