Home Halogens 2-Benzofurancarboxylic acid, 3-bromo-

2-Benzofurancarboxylic acid, 3-bromo-

CAS No.:
38281-53-7
Catalog Number:
AG00I7J7
Molecular Formula:
C9H5BrO3
Molecular Weight:
241.0382
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Product Description
Catalog Number:
AG00I7J7
Chemical Name:
2-Benzofurancarboxylic acid, 3-bromo-
CAS Number:
38281-53-7
Molecular Formula:
C9H5BrO3
Molecular Weight:
241.0382
MDL Number:
MFCD22571436
IUPAC Name:
3-bromo-1-benzofuran-2-carboxylic acid
InChI:
InChI=1S/C9H5BrO3/c10-7-5-3-1-2-4-6(5)13-8(7)9(11)12/h1-4H,(H,11,12)
InChI Key:
NACCIKKHVJKRQT-UHFFFAOYSA-N
SMILES:
OC(=O)c1oc2c(c1Br)cccc2
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:
2.9  
Properties