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61341-26-2 | 3-Methylthiophene-2-carbonyl chloride
CAS No: 61341-26-2 Catalog No: AG003JS4 MDL No:MFCD00130091
Product Description
Catalog Number:
AG003JS4
Chemical Name:
3-Methylthiophene-2-carbonyl chloride
CAS Number:
61341-26-2
Molecular Formula:
C6H5ClOS
Molecular Weight:
160.6213
MDL Number:
MFCD00130091
IUPAC Name:
3-methylthiophene-2-carbonyl chloride
InChI:
InChI=1S/C6H5ClOS/c1-4-2-3-9-5(4)6(7)8/h2-3H,1H3
InChI Key:
AJSVPEVDFBYRCH-UHFFFAOYSA-N
SMILES:
ClC(=O)c1sccc1C
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.975g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.615g/mol
Monoisotopic Mass:
159.975g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| N'-[(3-Methyl-2-thien-yl)carbon-yl]isonicotinohydrazide. | Acta crystallographica. Section E, Structure reports online 20090901 |
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