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68957-66-4 | Benzoic acid,4-[2-[4-(2-benzoxazolyl)phenyl]ethenyl]-, (1-iminoethyl)azanyl ester
CAS No: 68957-66-4 Catalog No: AG005MDK MDL No:
Product Description
Catalog Number:
AG005MDK
Chemical Name:
Benzoic acid,4-[2-[4-(2-benzoxazolyl)phenyl]ethenyl]-, (1-iminoethyl)azanyl ester
CAS Number:
68957-66-4
Molecular Formula:
C24H19N3O3
Molecular Weight:
397.4260
IUPAC Name:
(1-aminoethylideneamino) 4-[2-[4-(1,3-benzoxazol-2-yl)phenyl]ethenyl]benzoate
InChI:
InChI=1S/C24H19N3O3/c1-16(25)27-30-24(28)20-14-10-18(11-15-20)7-6-17-8-12-19(13-9-17)23-26-21-4-2-3-5-22(21)29-23/h2-15H,1H3,(H2,25,27)
InChI Key:
BPNQCRZMIZEIKS-UHFFFAOYSA-N
SMILES:
CC(=N)NOC(=O)c1ccc(cc1)C=Cc1ccc(cc1)c1nc2c(o1)cccc2
EC Number:
273-358-0
Properties
Complexity:
634
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
397.143g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
397.434g/mol
Monoisotopic Mass:
397.143g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
90.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
4.9
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