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120081-47-2 | Benzo[b]thiophene-7-carbonyl chloride
CAS No: 120081-47-2 Catalog No: AG000Q9K MDL No:
Product Description
Catalog Number:
AG000Q9K
Chemical Name:
Benzo[b]thiophene-7-carbonyl chloride
CAS Number:
120081-47-2
Molecular Formula:
C9H5ClOS
Molecular Weight:
196.6534
IUPAC Name:
1-benzothiophene-7-carbonyl chloride
InChI:
InChI=1S/C9H5ClOS/c10-9(11)7-3-1-2-6-4-5-12-8(6)7/h1-5H
InChI Key:
JILFWFGWWHGBHQ-UHFFFAOYSA-N
SMILES:
ClC(=O)c1cccc2c1scc2
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:
3.4
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