Home Halogens 5-bromo-7-methyl-1-benzofuran-2-carboxylic acid

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

CAS No.:
1344234-60-1
Catalog Number:
AG01A41S
Molecular Formula:
C10H7BrO3
Molecular Weight:
255.0648
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Product Description
Catalog Number:
AG01A41S
Chemical Name:
5-bromo-7-methyl-1-benzofuran-2-carboxylic acid
CAS Number:
1344234-60-1
Molecular Formula:
C10H7BrO3
Molecular Weight:
255.0648
MDL Number:
MFCD18294032
IUPAC Name:
5-bromo-7-methyl-1-benzofuran-2-carboxylic acid
InChI:
InChI=1S/C10H7BrO3/c1-5-2-7(11)3-6-4-8(10(12)13)14-9(5)6/h2-4H,1H3,(H,12,13)
InChI Key:
SICPVBNFSMTGKO-UHFFFAOYSA-N
SMILES:
Brc1cc2cc(oc2c(c1)C)C(=O)O
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