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Benzo[b]thiophene-2-carboxaldehyde

Catalog Number
ACM3541375
CAS Number
3541-37-5
Product Name
Benzo[b]thiophene-2-carboxaldehyde
Structure
Category
Small Molecule Semiconductor Building Blocks
Synonyms
2-Formylbenzo[b]thiophene;2-benzothiophenecarbaldehyde
IUPAC Name
1-benzothiophene-2-carbaldehyde
Molecular Weight
162.21g/mol
Molecular Formula
C9H6OS
Canonical SMILES
C1=CC=C2C(=C1)C=C(S2)C=O
InChI
InChI=1S/C9H6OS/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-6H
InChI Key
NXSVNPSWARVMAY-UHFFFAOYSA-N
Boiling Point
135-136°C/8mmHg
Melting Point
30-32°C
Flash Point
>110 °C
Purity
98%
Appearance
Brown Liquid
Complexity
158
Covalently-Bonded Unit Count
1
Exact Mass
162.013936g/mol
Formal Charge
0
Heavy Atom Count
11
Monoisotopic Mass
162.013936g/mol
Rotatable Bond Count
1
XLogP3
2.7
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