5-bromo-4,6-dichloro-3,4-dihydro-2H-chromene

C9H7BrCl2O — CID 130848796

IUPAC5-bromo-4,6-dichloro-3,4-dihydro-2H-chromene
SMILESClc1ccc2c(c1Br)C(Cl)CCO2
InChIInChI=1S/C9H7BrCl2O/c10-9-6(12)1-2-7-8(9)5(11)3-4-13-7/h1-2,5H,3-4H2
InChIKeyRSMMCZWOEMMOMO-UHFFFAOYSA-N
MW281.96 g/mol
LogP4.16
Rot. Bonds

About 5-bromo-4,6-dichloro-3,4-dihydro-2H-chromene

5-bromo-4,6-dichloro-3,4-dihydro-2H-chromene (PubChem CID 130848796) has the molecular formula C9H7BrCl2O and a molecular weight of 281.96 g/mol. Its IUPAC name is 5-bromo-4,6-dichloro-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name5-bromo-4,6-dichloro-3,4-dihydro-2H-chromene
PubChem CID130848796
Molecular FormulaC9H7BrCl2O
Molecular Weight281.96 g/mol
Exact Mass279.91
IUPAC Name5-bromo-4,6-dichloro-3,4-dihydro-2H-chromene
SMILESClc1ccc2c(c1Br)C(Cl)CCO2
InChIInChI=1S/C9H7BrCl2O/c10-9-6(12)1-2-7-8(9)5(11)3-4-13-7/h1-2,5H,3-4H2
InChIKeyRSMMCZWOEMMOMO-UHFFFAOYSA-N
XLogP4.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.96
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

6-bromo-4-chloro-5-methyl-3,4-dihydro-2H-chromene
CID 130951420
6-chloro-5-methyl-3,4-dihydro-2H-chromene-4-thiol
CID 130792885
6-chloro-5-fluoro-4-iodo-3,4-dihydro-2H-chromene
CID 130935602
5-bromo-4-chloro-7-fluoro-3,4-dihydro-2H-chromene
CID 130935590
(5-bromo-3,4-dihydro-2H-chromen-4-yl)methanamine
CID 105422199
4-(5-chloro-2,3-dihydro-1-benzofuran-4-yl)piperidine
CID 117348278
(4S)-4-(3-bromo-4-chlorophenyl)-1,3-oxazinan-2-one
CID 131626496
1-(3-bromo-4-chlorophenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanamine
CID 104770573
6-bromo-N-(2,6-dichloro-4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 83078339
4-chloro-7-(trifluoromethyl)-3,4-dihydro-2H-chromene
CID 89103867
5-bromo-4-chloro-2,3-dihydro-1-benzofuran
CID 82374686
N-[(5-bromo-2-chlorophenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 103792365

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4,6-dichloro-3,4-dihydro-2H-chromene?
The IUPAC name of 5-bromo-4,6-dichloro-3,4-dihydro-2H-chromene (CID 130848796) is 5-bromo-4,6-dichloro-3,4-dihydro-2H-chromene.
What is the SMILES notation for 5-bromo-4,6-dichloro-3,4-dihydro-2H-chromene?
The canonical SMILES for 5-bromo-4,6-dichloro-3,4-dihydro-2H-chromene is Clc1ccc2c(c1Br)C(Cl)CCO2.
What is the InChIKey of 5-bromo-4,6-dichloro-3,4-dihydro-2H-chromene?
The InChIKey is RSMMCZWOEMMOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrCl2O/c10-9-6(12)1-2-7-8(9)5(11)3-4-13-7/h1-2,5H,3-4H2.
What are the key properties of 5-bromo-4,6-dichloro-3,4-dihydro-2H-chromene?
5-bromo-4,6-dichloro-3,4-dihydro-2H-chromene has a molecular weight of 281.96 g/mol, XLogP of 4.16, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4,6-dichloro-3,4-dihydro-2H-chromene is sourced from PubChem (CID 130848796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).