Home Carboxys 6-Chlorobenzo[d]isoxazole-3-carboxylic acid

6-Chlorobenzo[d]isoxazole-3-carboxylic acid

CAS No.:
28691-49-8
Catalog Number:
AG002W45
Molecular Formula:
C8H4ClNO3
Molecular Weight:
197.5753
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Product Description
Catalog Number:
AG002W45
Chemical Name:
6-Chlorobenzo[d]isoxazole-3-carboxylic acid
CAS Number:
28691-49-8
Molecular Formula:
C8H4ClNO3
Molecular Weight:
197.5753
MDL Number:
MFCD09027540
IUPAC Name:
6-chloro-1,2-benzoxazole-3-carboxylic acid
InChI:
InChI=1S/C8H4ClNO3/c9-4-1-2-5-6(3-4)13-10-7(5)8(11)12/h1-3H,(H,11,12)
InChI Key:
NWWICAZKQSVOGE-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)onc2C(=O)O
Properties
Complexity:
223  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.988g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
197.574g/mol
Monoisotopic Mass:
196.988g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties