(5-chloro-1-benzofuran-7-yl)carbamic acid

C9H6ClNO3 — CID 70071093

IUPAC(5-chloro-1-benzofuran-7-yl)carbamic acid
SMILESO=C(O)Nc1cc(Cl)cc2ccoc12
InChIInChI=1S/C9H6ClNO3/c10-6-3-5-1-2-14-8(5)7(4-6)11-9(12)13/h1-4,11H,(H,12,13)
InChIKeyNZLZZRFGRUGSCR-UHFFFAOYSA-N
MW211.60 g/mol
LogP3.18
Rot. Bonds1

About (5-chloro-1-benzofuran-7-yl)carbamic acid

(5-chloro-1-benzofuran-7-yl)carbamic acid (PubChem CID 70071093) has the molecular formula C9H6ClNO3 and a molecular weight of 211.60 g/mol. Its IUPAC name is (5-chloro-1-benzofuran-7-yl)carbamic acid.

Molecular Properties

Compound Name(5-chloro-1-benzofuran-7-yl)carbamic acid
PubChem CID70071093
Molecular FormulaC9H6ClNO3
Molecular Weight211.60 g/mol
Exact Mass211.00
IUPAC Name(5-chloro-1-benzofuran-7-yl)carbamic acid
SMILESO=C(O)Nc1cc(Cl)cc2ccoc12
InChIInChI=1S/C9H6ClNO3/c10-6-3-5-1-2-14-8(5)7(4-6)11-9(12)13/h1-4,11H,(H,12,13)
InChIKeyNZLZZRFGRUGSCR-UHFFFAOYSA-N
XLogP3.18
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.60
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-1-benzofuran-7-yl)carbamic acid?
The IUPAC name of (5-chloro-1-benzofuran-7-yl)carbamic acid (CID 70071093) is (5-chloro-1-benzofuran-7-yl)carbamic acid.
What is the SMILES notation for (5-chloro-1-benzofuran-7-yl)carbamic acid?
The canonical SMILES for (5-chloro-1-benzofuran-7-yl)carbamic acid is O=C(O)Nc1cc(Cl)cc2ccoc12.
What is the InChIKey of (5-chloro-1-benzofuran-7-yl)carbamic acid?
The InChIKey is NZLZZRFGRUGSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNO3/c10-6-3-5-1-2-14-8(5)7(4-6)11-9(12)13/h1-4,11H,(H,12,13).
What are the key properties of (5-chloro-1-benzofuran-7-yl)carbamic acid?
(5-chloro-1-benzofuran-7-yl)carbamic acid has a molecular weight of 211.60 g/mol, XLogP of 3.18, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1-benzofuran-7-yl)carbamic acid is sourced from PubChem (CID 70071093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).