5-bromo-6-methoxy-1-benzofuran-2-carboxylic acid

5-bromo-6-methoxy-1-benzofuran-2-carboxylic acid

CAS: 20073-19-2

Formula: C10H7BrO4

SMILES: COC1=C(Br)C=C2C=C(OC2=C1)C(O)=O

IUPAC: 5-bromo-6-methoxy-1-benzofuran-2-carboxylic acid

InChI: InChI=1S/C10H7BrO4/c1-14-8-4-7-5(2-6(8)11)3-9(15-7)10(12)13/h2-4H,1H3,(H,12,13)

Composition: C (44.31%), H (2.60%), Br (29.48%), O (23.61%)

Molar Mass: 271.066

Atom Count: 22

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	269.952772
Formal Charge	0
FSP3	0.1
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	RKNWDMISPSACLI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.12
Topological Polar Surface Area	59.67
Polarizability	22.48
Ring Count	2
Rotatable Bond Count	2

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