Home Carboxys 5-BroMobenzofuran-3-carboxylic acid

5-BroMobenzofuran-3-carboxylic acid

CAS No.:
461663-79-6
Catalog Number:
AG00DKPK
Molecular Formula:
C9H5BrO3
Molecular Weight:
241.0382
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Product Description
Catalog Number:
AG00DKPK
Chemical Name:
5-BroMobenzofuran-3-carboxylic acid
CAS Number:
461663-79-6
Molecular Formula:
C9H5BrO3
Molecular Weight:
241.0382
IUPAC Name:
5-bromo-1-benzofuran-3-carboxylic acid
InChI:
InChI=1S/C9H5BrO3/c10-5-1-2-8-6(3-5)7(4-13-8)9(11)12/h1-4H,(H,11,12)
InChI Key:
MZQBOTQXGIKNEO-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)c(co2)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:
239.942g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
241.04g/mol
Monoisotopic Mass:
239.942g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties