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Home > Aldehydes > 918879-26-2
918879-26-2 | Benzaldehyde, 4-[[[4-(2-benzothiazolyl)phenyl]imino]methyl]-
CAS No: 918879-26-2 Catalog No: AG006B4I MDL No:
Product Description
Catalog Number:
AG006B4I
Chemical Name:
Benzaldehyde, 4-[[[4-(2-benzothiazolyl)phenyl]imino]methyl]-
CAS Number:
918879-26-2
Molecular Formula:
C21H14N2OS
Molecular Weight:
342.4137
IUPAC Name:
4-[[4-(1,3-benzothiazol-2-yl)phenyl]iminomethyl]benzaldehyde
InChI:
InChI=1S/C21H14N2OS/c24-14-16-7-5-15(6-8-16)13-22-18-11-9-17(10-12-18)21-23-19-3-1-2-4-20(19)25-21/h1-14H
InChI Key:
VKDQVTXUPKUMOQ-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)C=Nc1ccc(cc1)c1nc2c(s1)cccc2
Properties
Complexity:
467
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.083g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
342.416g/mol
Monoisotopic Mass:
342.083g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
70.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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