7-bromo-2,3-dihydro-1-benzofuran-5-carboxylic acid

C9H7BrO3 — CID 83899521

IUPAC7-bromo-2,3-dihydro-1-benzofuran-5-carboxylic acid
SMILESO=C(O)c1cc(Br)c2c(c1)CCO2
InChIInChI=1S/C9H7BrO3/c10-7-4-6(9(11)12)3-5-1-2-13-8(5)7/h3-4H,1-2H2,(H,11,12)
InChIKeyXAELZMNJPQDCBD-UHFFFAOYSA-N
MW243.06 g/mol
LogP2.08
Rot. Bonds1

About 7-bromo-2,3-dihydro-1-benzofuran-5-carboxylic acid

7-bromo-2,3-dihydro-1-benzofuran-5-carboxylic acid (PubChem CID 83899521) has the molecular formula C9H7BrO3 and a molecular weight of 243.06 g/mol. Its IUPAC name is 7-bromo-2,3-dihydro-1-benzofuran-5-carboxylic acid.

Molecular Properties

Compound Name7-bromo-2,3-dihydro-1-benzofuran-5-carboxylic acid
PubChem CID83899521
Molecular FormulaC9H7BrO3
Molecular Weight243.06 g/mol
Exact Mass241.96
IUPAC Name7-bromo-2,3-dihydro-1-benzofuran-5-carboxylic acid
SMILESO=C(O)c1cc(Br)c2c(c1)CCO2
InChIInChI=1S/C9H7BrO3/c10-7-4-6(9(11)12)3-5-1-2-13-8(5)7/h3-4H,1-2H2,(H,11,12)
InChIKeyXAELZMNJPQDCBD-UHFFFAOYSA-N
XLogP2.08
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.06
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 7-bromo-2,3-dihydro-1-benzofuran-5-carboxylate
CID 131617097
3-amino-1-(7-bromo-2,3-dihydro-1-benzofuran-5-yl)propan-1-one
CID 84808835
1-(9-bromo-2,3,4,5-tetrahydro-1-benzoxepin-7-yl)-2-methylpropan-1-one
CID 82251830
3-[(7-bromo-2,3-dihydro-1-benzofuran-5-yl)sulfanyl]propanoic acid
CID 91253018
7-bromo-1,3-benzodioxole-5-carboxylic acid
CID 4739141
(7-bromo-2,3-dihydro-1-benzofuran-5-yl)methanol
CID 66545161
(4R)-4-amino-8-bromo-3,4-dihydro-2H-chromene-6-carboxylic acid
CID 131275088
9-chloro-2,3,4,5-tetrahydro-1-benzoxepine-7-carboxylic acid
CID 57367897
2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 676583
7-bromo-5-nitro-2,3-dihydro-1-benzofuran
CID 18787034
8-bromo-3-oxo-4H-1,4-benzoxazine-6-carboxylic acid
CID 68987662
2-amino-2-(7-bromo-2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 83901569

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2,3-dihydro-1-benzofuran-5-carboxylic acid?
The IUPAC name of 7-bromo-2,3-dihydro-1-benzofuran-5-carboxylic acid (CID 83899521) is 7-bromo-2,3-dihydro-1-benzofuran-5-carboxylic acid.
What is the SMILES notation for 7-bromo-2,3-dihydro-1-benzofuran-5-carboxylic acid?
The canonical SMILES for 7-bromo-2,3-dihydro-1-benzofuran-5-carboxylic acid is O=C(O)c1cc(Br)c2c(c1)CCO2.
What is the InChIKey of 7-bromo-2,3-dihydro-1-benzofuran-5-carboxylic acid?
The InChIKey is XAELZMNJPQDCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrO3/c10-7-4-6(9(11)12)3-5-1-2-13-8(5)7/h3-4H,1-2H2,(H,11,12).
What are the key properties of 7-bromo-2,3-dihydro-1-benzofuran-5-carboxylic acid?
7-bromo-2,3-dihydro-1-benzofuran-5-carboxylic acid has a molecular weight of 243.06 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2,3-dihydro-1-benzofuran-5-carboxylic acid is sourced from PubChem (CID 83899521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).