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Home > Aldehydes > 1121583-63-8
1121583-63-8 | 4-Phenoxybenzo[b]thiophene-7-carbaldehyde
CAS No: 1121583-63-8 Catalog No: AG007C58 MDL No:
Product Description
Catalog Number:
AG007C58
Chemical Name:
4-Phenoxybenzo[b]thiophene-7-carbaldehyde
CAS Number:
1121583-63-8
Molecular Formula:
C15H10O2S
Molecular Weight:
254.3037
IUPAC Name:
4-phenoxy-1-benzothiophene-7-carbaldehyde
InChI:
InChI=1S/C15H10O2S/c16-10-11-6-7-14(13-8-9-18-15(11)13)17-12-4-2-1-3-5-12/h1-10H
InChI Key:
CNCVCEQARHPKSN-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c2c1scc2)Oc1ccccc1
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.04g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.303g/mol
Monoisotopic Mass:
254.04g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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