2,7-dichloro-1-benzofuran-3-carboxylic acid

C9H4Cl2O3 — CID 83823886

IUPAC2,7-dichloro-1-benzofuran-3-carboxylic acid
SMILESO=C(O)c1c(Cl)oc2c(Cl)cccc12
InChIInChI=1S/C9H4Cl2O3/c10-5-3-1-2-4-6(9(12)13)8(11)14-7(4)5/h1-3H,(H,12,13)
InChIKeyHGRWCBJIMHGEEP-UHFFFAOYSA-N
MW231.03 g/mol
LogP3.44
Rot. Bonds1

About 2,7-dichloro-1-benzofuran-3-carboxylic acid

2,7-dichloro-1-benzofuran-3-carboxylic acid (PubChem CID 83823886) has the molecular formula C9H4Cl2O3 and a molecular weight of 231.03 g/mol. Its IUPAC name is 2,7-dichloro-1-benzofuran-3-carboxylic acid.

Molecular Properties

Compound Name2,7-dichloro-1-benzofuran-3-carboxylic acid
PubChem CID83823886
Molecular FormulaC9H4Cl2O3
Molecular Weight231.03 g/mol
Exact Mass229.95
IUPAC Name2,7-dichloro-1-benzofuran-3-carboxylic acid
SMILESO=C(O)c1c(Cl)oc2c(Cl)cccc12
InChIInChI=1S/C9H4Cl2O3/c10-5-3-1-2-4-6(9(12)13)8(11)14-7(4)5/h1-3H,(H,12,13)
InChIKeyHGRWCBJIMHGEEP-UHFFFAOYSA-N
XLogP3.44
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.03
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-1-benzofuran-3-carboxylic acid
CID 83818774
CID 11251659
CID 11251659
5-chloro-3-methyl-[1]benzofuro[2,3-b]pyrrole-2-carboxylic acid
CID 115007678
azetidin-1-yl-(7-chloro-3-methyl-1-benzofuran-2-yl)methanone
CID 17439317
2-chloro-5-fluoro-1-benzofuran-3-carboxylic acid
CID 83821470
4-(8-chloro-4-oxochromen-2-yl)benzoic acid
CID 82043700
3-(2-amino-2-carboxyethyl)-7-chloro-1-benzofuran-2-carboxylic acid
CID 15324757
2,7-dichloro-1-benzothiophene-3-carboxylic acid
CID 130785966
1-(7-chloro-3-methyl-1-benzofuran-2-yl)propan-1-one
CID 139929639
2-chloro-6-(2-chlorophenyl)benzoic acid
CID 53225809
acetic acid;2-amino-6-chlorobenzoic acid
CID 175066849
3-amino-8-chloro-4-hydroxychromen-2-one
CID 130018302

Frequently Asked Questions

What is the IUPAC name of 2,7-dichloro-1-benzofuran-3-carboxylic acid?
The IUPAC name of 2,7-dichloro-1-benzofuran-3-carboxylic acid (CID 83823886) is 2,7-dichloro-1-benzofuran-3-carboxylic acid.
What is the SMILES notation for 2,7-dichloro-1-benzofuran-3-carboxylic acid?
The canonical SMILES for 2,7-dichloro-1-benzofuran-3-carboxylic acid is O=C(O)c1c(Cl)oc2c(Cl)cccc12.
What is the InChIKey of 2,7-dichloro-1-benzofuran-3-carboxylic acid?
The InChIKey is HGRWCBJIMHGEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Cl2O3/c10-5-3-1-2-4-6(9(12)13)8(11)14-7(4)5/h1-3H,(H,12,13).
What are the key properties of 2,7-dichloro-1-benzofuran-3-carboxylic acid?
2,7-dichloro-1-benzofuran-3-carboxylic acid has a molecular weight of 231.03 g/mol, XLogP of 3.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dichloro-1-benzofuran-3-carboxylic acid is sourced from PubChem (CID 83823886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).