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873914-46-6 | Benzoic acid, 2-(1-pyrenylamino)-
CAS No: 873914-46-6 Catalog No: AG004NPR MDL No:
Product Description
Catalog Number:
AG004NPR
Chemical Name:
Benzoic acid, 2-(1-pyrenylamino)-
CAS Number:
873914-46-6
Molecular Formula:
C23H15NO2
Molecular Weight:
337.3707
IUPAC Name:
2-(pyren-1-ylamino)benzoic acid
InChI:
InChI=1S/C23H15NO2/c25-23(26)18-6-1-2-7-19(18)24-20-13-11-16-9-8-14-4-3-5-15-10-12-17(20)22(16)21(14)15/h1-13,24H,(H,25,26)
InChI Key:
ZUYMNEBYEMFENX-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1Nc1ccc2c3c1ccc1c3c(cc2)ccc1
Properties
Complexity:
534
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.11g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
337.378g/mol
Monoisotopic Mass:
337.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
Literature
| Title | Journal |
|---|---|
| Regioselective copper-catalyzed amination of bromobenzoic acids using aliphatic and aromatic amines. | The Journal of organic chemistry 20060414 |
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