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1379324-66-9 | 7-Benzothiazolecarboxylic acid, 2-chloro-
CAS No: 1379324-66-9 Catalog No: AG00145D MDL No:MFCD13195420
Product Description
Catalog Number:
AG00145D
Chemical Name:
7-Benzothiazolecarboxylic acid, 2-chloro-
CAS Number:
1379324-66-9
Molecular Formula:
C8H4ClNO2S
Molecular Weight:
213.6409
MDL Number:
MFCD13195420
IUPAC Name:
2-chloro-1,3-benzothiazole-7-carboxylic acid
InChI:
InChI=1S/C8H4ClNO2S/c9-8-10-5-3-1-2-4(7(11)12)6(5)13-8/h1-3H,(H,11,12)
InChI Key:
MMDQFYIMUCGXIW-UHFFFAOYSA-N
SMILES:
Clc1nc2c(s1)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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