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20037-37-0 | 2-Benzofurancarboxylic acid, 5-bromo-7-methoxy-
CAS No: 20037-37-0 Catalog No: AG002CQ9 MDL No:MFCD04352513
Product Description
Catalog Number:
AG002CQ9
Chemical Name:
2-Benzofurancarboxylic acid, 5-bromo-7-methoxy-
CAS Number:
20037-37-0
Molecular Formula:
C10H7BrO4
Molecular Weight:
271.0642
MDL Number:
MFCD04352513
IUPAC Name:
5-bromo-7-methoxy-1-benzofuran-2-carboxylic acid
InChI:
InChI=1S/C10H7BrO4/c1-14-7-4-6(11)2-5-3-8(10(12)13)15-9(5)7/h2-4H,1H3,(H,12,13)
InChI Key:
OEICZFFUNDGUEF-UHFFFAOYSA-N
SMILES:
COc1cc(Br)cc2c1oc(c2)C(=O)O
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.953g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
271.066g/mol
Monoisotopic Mass:
269.953g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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