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3-Chlorobenzo[b]thiophene-2-carboxylic acid

Catalog Number
ACM21211223
CAS Number
21211-22-3
Product Name
3-Chlorobenzo[b]thiophene-2-carboxylic acid
Structure
Category
Small Molecule Semiconductor Building Blocks
IUPAC Name
3-chloro-1-benzothiophene-2-carboxylic acid
Molecular Weight
212.65g/mol
Molecular Formula
C9H5ClO2S
Canonical SMILES
C1=CC=C2C(=C1)C(=C(S2)C(=O)O)Cl
InChI
InChI=1S/C9H5ClO2S/c10-7-5-3-1-2-4-6(5)13-8(7)9(11)12/h1-4H,(H,11,12)
InChI Key
HJTMIYKPPPYDRJ-UHFFFAOYSA-N
Complexity
222
Covalently-Bonded Unit Count
1
Exact Mass
211.969878g/mol
Formal Charge
0
Heavy Atom Count
13
Monoisotopic Mass
211.969878g/mol
NSC Number
206632
Rotatable Bond Count
1
XLogP3
3.4
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