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Home > Aldehydes > 107834-03-7
107834-03-7 | 4-(Thiophen-2-yl)benzaldehyde
CAS No: 107834-03-7 Catalog No: AG003KAQ MDL No:MFCD02682003
Product Description
Catalog Number:
AG003KAQ
Chemical Name:
4-(Thiophen-2-yl)benzaldehyde
CAS Number:
107834-03-7
Molecular Formula:
C11H8OS
Molecular Weight:
188.2456
MDL Number:
MFCD02682003
IUPAC Name:
4-thiophen-2-ylbenzaldehyde
InChI:
InChI=1S/C11H8OS/c12-8-9-3-5-10(6-4-9)11-2-1-7-13-11/h1-8H
InChI Key:
UECDQUOWFRTJOH-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)c1cccs1
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.03g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.244g/mol
Monoisotopic Mass:
188.03g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Literature
| Title | Journal |
|---|---|
| Identification of novel CYP2A6 inhibitors by virtual screening. | Bioorganic & medicinal chemistry 20111201 |
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