Home Halogens 5-bromo-7-methyl-1-benzofuran-3-carboxylic acid

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

CAS No.:
1492450-22-2
Catalog Number:
AG01ACJH
Molecular Formula:
C10H7BrO3
Molecular Weight:
255.0648
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Product Description
Catalog Number:
AG01ACJH
Chemical Name:
5-bromo-7-methyl-1-benzofuran-3-carboxylic acid
CAS Number:
1492450-22-2
Molecular Formula:
C10H7BrO3
Molecular Weight:
255.0648
MDL Number:
MFCD21281716
IUPAC Name:
5-bromo-7-methyl-1-benzofuran-3-carboxylic acid
InChI:
InChI=1S/C10H7BrO3/c1-5-2-6(11)3-7-8(10(12)13)4-14-9(5)7/h2-4H,1H3,(H,12,13)
InChI Key:
ISGQFYMPLVYMOW-UHFFFAOYSA-N
SMILES:
Brc1cc(C)c2c(c1)c(co2)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:
2.9  
Properties