Home Halogens 7-bromo-3-methyl-1-benzofuran-2-carboxylic acid

7-bromo-3-methyl-1-benzofuran-2-carboxylic acid

CAS No.:
1019115-67-3
Catalog Number:
AG01A5ZI
Molecular Formula:
C10H7BrO3
Molecular Weight:
255.0648
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Product Description
Catalog Number:
AG01A5ZI
Chemical Name:
7-bromo-3-methyl-1-benzofuran-2-carboxylic acid
CAS Number:
1019115-67-3
Molecular Formula:
C10H7BrO3
Molecular Weight:
255.0648
MDL Number:
MFCD09965716
IUPAC Name:
7-bromo-3-methyl-1-benzofuran-2-carboxylic acid
InChI:
InChI=1S/C10H7BrO3/c1-5-6-3-2-4-7(11)9(6)14-8(5)10(12)13/h2-4H,1H3,(H,12,13)
InChI Key:
NVDHJNRYFRJTCL-UHFFFAOYSA-N
SMILES:
OC(=O)c1oc2c(c1C)cccc2Br
Properties
Complexity:
244  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.958g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
255.067g/mol
Monoisotopic Mass:
253.958g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties