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13771-75-0 | Benzo[b]thiophene-2-carboxylic acid, 5-chloro-
CAS No: 13771-75-0 Catalog No: AG0013RL MDL No:MFCD01927183
Product Description
Catalog Number:
AG0013RL
Chemical Name:
Benzo[b]thiophene-2-carboxylic acid, 5-chloro-
CAS Number:
13771-75-0
Molecular Formula:
C9H5ClO2S
Molecular Weight:
212.6528
MDL Number:
MFCD01927183
IUPAC Name:
5-chloro-1-benzothiophene-2-carboxylic acid
InChI:
InChI=1S/C9H5ClO2S/c10-6-1-2-7-5(3-6)4-8(13-7)9(11)12/h1-4H,(H,11,12)
InChI Key:
PKIXUVKUGMYKRU-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)cc(s2)C(=O)O
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.97g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.647g/mol
Monoisotopic Mass:
211.97g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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