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1260529-68-7 | 4-Benzothiazolecarboxylic acid, 2-chloro-
CAS No: 1260529-68-7 Catalog No: AG000QTV MDL No:
Product Description
Catalog Number:
AG000QTV
Chemical Name:
4-Benzothiazolecarboxylic acid, 2-chloro-
CAS Number:
1260529-68-7
Molecular Formula:
C8H4ClNO2S
Molecular Weight:
213.6409
IUPAC Name:
2-chloro-1,3-benzothiazole-4-carboxylic acid
InChI:
InChI=1S/C8H4ClNO2S/c9-8-10-6-4(7(11)12)2-1-3-5(6)13-8/h1-3H,(H,11,12)
InChI Key:
CZKIDVYMBRVQBU-UHFFFAOYSA-N
SMILES:
Clc1sc2c(n1)c(ccc2)C(=O)O
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.965g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
213.635g/mol
Monoisotopic Mass:
212.965g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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