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13781-65-2 | 3-Thiopheneacetyl chloride
CAS No: 13781-65-2 Catalog No: AG0013VM MDL No:MFCD03424732
Product Description
Catalog Number:
AG0013VM
Chemical Name:
3-Thiopheneacetyl chloride
CAS Number:
13781-65-2
Molecular Formula:
C6H5ClOS
Molecular Weight:
160.6213
MDL Number:
MFCD03424732
IUPAC Name:
2-thiophen-3-ylacetyl chloride
InChI:
InChI=1S/C6H5ClOS/c7-6(8)3-5-1-2-9-4-5/h1-2,4H,3H2
InChI Key:
KEYWOCXIPDAGCS-UHFFFAOYSA-N
SMILES:
ClC(=O)Cc1cscc1
Properties
Complexity:
116
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:
2
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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