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113471-08-2 | 3-Thiophenecarbonyl chloride, 5-chloro-
CAS No: 113471-08-2 Catalog No: AG0008OR MDL No:
Product Description
Catalog Number:
AG0008OR
Chemical Name:
3-Thiophenecarbonyl chloride, 5-chloro-
CAS Number:
113471-08-2
Molecular Formula:
C5H2Cl2OS
Molecular Weight:
181.0398
IUPAC Name:
5-chlorothiophene-3-carbonyl chloride
InChI:
InChI=1S/C5H2Cl2OS/c6-4-1-3(2-9-4)5(7)8/h1-2H
InChI Key:
DCLHJPCKHFKQGF-UHFFFAOYSA-N
SMILES:
Clc1scc(c1)C(=O)Cl
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.92g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.03g/mol
Monoisotopic Mass:
179.92g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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