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16361-24-3 | Benzo[b]thiophene-3-carboxylic acid, 5-chloro-
CAS No: 16361-24-3 Catalog No: AG001UA8 MDL No:MFCD00052301
Product Description
Catalog Number:
AG001UA8
Chemical Name:
Benzo[b]thiophene-3-carboxylic acid, 5-chloro-
CAS Number:
16361-24-3
Molecular Formula:
C9H5ClO2S
Molecular Weight:
212.6528
MDL Number:
MFCD00052301
IUPAC Name:
5-chloro-1-benzothiophene-3-carboxylic acid
InChI:
InChI=1S/C9H5ClO2S/c10-5-1-2-8-6(3-5)7(4-13-8)9(11)12/h1-4H,(H,11,12)
InChI Key:
RTBIQTHYQWFIAO-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)c(cs2)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:
3.1
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