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820969-33-3 | Benzoic acid, 4-(diphenylamino)-, ethenyl ester
CAS No: 820969-33-3 Catalog No: AG005BXQ MDL No:
Product Description
Catalog Number:
AG005BXQ
Chemical Name:
Benzoic acid, 4-(diphenylamino)-, ethenyl ester
CAS Number:
820969-33-3
Molecular Formula:
C21H17NO2
Molecular Weight:
315.3652
IUPAC Name:
ethenyl 4-(N-phenylanilino)benzoate
InChI:
InChI=1S/C21H17NO2/c1-2-24-21(23)17-13-15-20(16-14-17)22(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h2-16H,1H2
InChI Key:
QEQKSZWUKJWPOA-UHFFFAOYSA-N
SMILES:
C=COC(=O)c1ccc(cc1)N(c1ccccc1)c1ccccc1
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.126g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.372g/mol
Monoisotopic Mass:
315.126g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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