(3-bromo-6-chloro-1-benzofuran-7-yl)carbamic acid

C9H5BrClNO3 — CID 70004173

IUPAC(3-bromo-6-chloro-1-benzofuran-7-yl)carbamic acid
SMILESO=C(O)Nc1c(Cl)ccc2c(Br)coc12
InChIInChI=1S/C9H5BrClNO3/c10-5-3-15-8-4(5)1-2-6(11)7(8)12-9(13)14/h1-3,12H,(H,13,14)
InChIKeyBZCAXFXMUPNVDV-UHFFFAOYSA-N
MW290.50 g/mol
LogP3.94
Rot. Bonds1

About (3-bromo-6-chloro-1-benzofuran-7-yl)carbamic acid

(3-bromo-6-chloro-1-benzofuran-7-yl)carbamic acid (PubChem CID 70004173) has the molecular formula C9H5BrClNO3 and a molecular weight of 290.50 g/mol. Its IUPAC name is (3-bromo-6-chloro-1-benzofuran-7-yl)carbamic acid.

Molecular Properties

Compound Name(3-bromo-6-chloro-1-benzofuran-7-yl)carbamic acid
PubChem CID70004173
Molecular FormulaC9H5BrClNO3
Molecular Weight290.50 g/mol
Exact Mass288.91
IUPAC Name(3-bromo-6-chloro-1-benzofuran-7-yl)carbamic acid
SMILESO=C(O)Nc1c(Cl)ccc2c(Br)coc12
InChIInChI=1S/C9H5BrClNO3/c10-5-3-15-8-4(5)1-2-6(11)7(8)12-9(13)14/h1-3,12H,(H,13,14)
InChIKeyBZCAXFXMUPNVDV-UHFFFAOYSA-N
XLogP3.94
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.50
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2-Tert-butyl-6-chloro-1-benzofuran-7-yl)carbamic acid
CID 22140813
(3-Bromo-2-tert-butyl-6-chloro-1-benzofuran-7-yl)carbamic acid
CID 22591471
7-Amino-3-bromo-6-chlorobenzofuran
CID 22591482
(6-Chloro-7-benzofuranyl)carbamic acid 1,1-dimethylethyl ester
CID 68577429
(6-Chloro-1-benzofuran-7-yl)carbamic acid
CID 69698262
(3-Bromo-6-chloro-7-benzofuranyl)carbamic acid 1,1-dimethylethyl ester
CID 69783157
(5-Chloro-1-benzofuran-7-yl)carbamic acid
CID 70071093
Butyl-(6-chloro-1-benzofuran-7-yl)carbamic acid
CID 149935430
N-(2-tert-butyl-6-chloro-1-benzofuran-7-yl)carbamate
CID 22140812
N-(3-bromo-2-tert-butyl-6-chloro-1-benzofuran-7-yl)carbamate
CID 22591470

Frequently Asked Questions

What is the IUPAC name of (3-bromo-6-chloro-1-benzofuran-7-yl)carbamic acid?
The IUPAC name of (3-bromo-6-chloro-1-benzofuran-7-yl)carbamic acid (CID 70004173) is (3-bromo-6-chloro-1-benzofuran-7-yl)carbamic acid.
What is the SMILES notation for (3-bromo-6-chloro-1-benzofuran-7-yl)carbamic acid?
The canonical SMILES for (3-bromo-6-chloro-1-benzofuran-7-yl)carbamic acid is O=C(O)Nc1c(Cl)ccc2c(Br)coc12.
What is the InChIKey of (3-bromo-6-chloro-1-benzofuran-7-yl)carbamic acid?
The InChIKey is BZCAXFXMUPNVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrClNO3/c10-5-3-15-8-4(5)1-2-6(11)7(8)12-9(13)14/h1-3,12H,(H,13,14).
What are the key properties of (3-bromo-6-chloro-1-benzofuran-7-yl)carbamic acid?
(3-bromo-6-chloro-1-benzofuran-7-yl)carbamic acid has a molecular weight of 290.50 g/mol, XLogP of 3.94, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-6-chloro-1-benzofuran-7-yl)carbamic acid is sourced from PubChem (CID 70004173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).