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Home > Aldehydes > 185435-98-7
185435-98-7 | 2-Benzothiazolecarboxaldehyde, 6-(phenylmethoxy)-
CAS No: 185435-98-7 Catalog No: AG007TD8 MDL No:
Product Description
Catalog Number:
AG007TD8
Chemical Name:
2-Benzothiazolecarboxaldehyde, 6-(phenylmethoxy)-
CAS Number:
185435-98-7
Molecular Formula:
C15H11NO2S
Molecular Weight:
269.3183
IUPAC Name:
6-phenylmethoxy-1,3-benzothiazole-2-carbaldehyde
InChI:
InChI=1S/C15H11NO2S/c17-9-15-16-13-7-6-12(8-14(13)19-15)18-10-11-4-2-1-3-5-11/h1-9H,10H2
InChI Key:
RLHADCQAIOMHDB-UHFFFAOYSA-N
SMILES:
O=Cc1nc2c(s1)cc(cc2)OCc1ccccc1
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.051g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.318g/mol
Monoisotopic Mass:
269.051g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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