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133179-63-2 | BENZO[C]THIOPHENE-1-CARBONYL CHLORIDE
CAS No: 133179-63-2 Catalog No: AG0014DD MDL No:
Product Description
Catalog Number:
AG0014DD
Chemical Name:
BENZO[C]THIOPHENE-1-CARBONYL CHLORIDE
CAS Number:
133179-63-2
Molecular Formula:
C9H5ClOS
Molecular Weight:
196.6534
IUPAC Name:
2-benzothiophene-1-carbonyl chloride
InChI:
InChI=1S/C9H5ClOS/c10-9(11)8-7-4-2-1-3-6(7)5-12-8/h1-5H
InChI Key:
ONGCXHZOGJFNJA-UHFFFAOYSA-N
SMILES:
ClC(=O)c1scc2c1cccc2
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.975g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.648g/mol
Monoisotopic Mass:
195.975g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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