Home Halogens 2-chlorobenzofuran-5-carboxylic acid

2-chlorobenzofuran-5-carboxylic acid

CAS No.:
860183-31-9
Catalog Number:
AG00GUPH
Molecular Formula:
C9H5ClO3
Molecular Weight:
196.5872
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG00GUPH
Chemical Name:
2-chlorobenzofuran-5-carboxylic acid
CAS Number:
860183-31-9
Molecular Formula:
C9H5ClO3
Molecular Weight:
196.5872
MDL Number:
MFCD18382514
IUPAC Name:
2-chloro-1-benzofuran-5-carboxylic acid
InChI:
InChI=1S/C9H5ClO3/c10-8-4-6-3-5(9(11)12)1-2-7(6)13-8/h1-4H,(H,11,12)
InChI Key:
NYJMPXZJLHHNLQ-UHFFFAOYSA-N
SMILES:
Clc1oc2c(c1)cc(cc2)C(=O)O
Properties
Complexity:
219  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.993g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
196.586g/mol
Monoisotopic Mass:
195.993g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties