1-(1-bromoethoxy)-2,3-dichlorobenzene

C8H7BrCl2O — CID 67903309

IUPAC1-(1-bromoethoxy)-2,3-dichlorobenzene
SMILESCC(Br)Oc1cccc(Cl)c1Cl
InChIInChI=1S/C8H7BrCl2O/c1-5(9)12-7-4-2-3-6(10)8(7)11/h2-5H,1H3
InChIKeyBFMBKBNZPBJECW-UHFFFAOYSA-N
MW269.95 g/mol
LogP4.11
Rot. Bonds2

About 1-(1-bromoethoxy)-2,3-dichlorobenzene

1-(1-bromoethoxy)-2,3-dichlorobenzene (PubChem CID 67903309) has the molecular formula C8H7BrCl2O and a molecular weight of 269.95 g/mol. Its IUPAC name is 1-(1-bromoethoxy)-2,3-dichlorobenzene.

Molecular Properties

Compound Name1-(1-bromoethoxy)-2,3-dichlorobenzene
PubChem CID67903309
Molecular FormulaC8H7BrCl2O
Molecular Weight269.95 g/mol
Exact Mass267.91
IUPAC Name1-(1-bromoethoxy)-2,3-dichlorobenzene
SMILESCC(Br)Oc1cccc(Cl)c1Cl
InChIInChI=1S/C8H7BrCl2O/c1-5(9)12-7-4-2-3-6(10)8(7)11/h2-5H,1H3
InChIKeyBFMBKBNZPBJECW-UHFFFAOYSA-N
XLogP4.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.95
LogP ≤ 54.11
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

(2R)-2-(2,3-dichlorophenoxy)propanamide
CID 7372370
1-(1-aminoethylamino)-1-(2,3-dichlorophenoxy)propan-2-ol
CID 57053992
1-(3-bromo-2-methylpropoxy)-2,3-dichlorobenzene
CID 64995949
1,2-dichloro-3-[ethoxy(methoxy)methoxy]benzene
CID 173367803
1-(3-chlorophenyl)-2-(2,3-dichlorophenoxy)propan-1-one
CID 60624707
2-(2,3-dichlorophenoxy)-N-propan-2-ylbutan-1-amine
CID 62451787
1,2-dichloro-3-[(2-methylpropan-2-yl)oxy]benzene
CID 162775400
(2S)-2-(2,3-dichlorophenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide
CID 7372385
1,2-dichloro-3-(2,6-dichlorophenoxy)benzene
CID 72941859
2-(2,3-dichlorophenoxy)-2-fluoroacetic acid
CID 79356464
(2R)-2-(2,3-dichlorophenoxy)-N-(3,5-dichlorophenyl)propanamide
CID 7787703
2-(2,3-dichlorophenoxy)-N-(2-methoxyethyl)propanamide
CID 46452752

Frequently Asked Questions

What is the IUPAC name of 1-(1-bromoethoxy)-2,3-dichlorobenzene?
The IUPAC name of 1-(1-bromoethoxy)-2,3-dichlorobenzene (CID 67903309) is 1-(1-bromoethoxy)-2,3-dichlorobenzene.
What is the SMILES notation for 1-(1-bromoethoxy)-2,3-dichlorobenzene?
The canonical SMILES for 1-(1-bromoethoxy)-2,3-dichlorobenzene is CC(Br)Oc1cccc(Cl)c1Cl.
What is the InChIKey of 1-(1-bromoethoxy)-2,3-dichlorobenzene?
The InChIKey is BFMBKBNZPBJECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrCl2O/c1-5(9)12-7-4-2-3-6(10)8(7)11/h2-5H,1H3.
What are the key properties of 1-(1-bromoethoxy)-2,3-dichlorobenzene?
1-(1-bromoethoxy)-2,3-dichlorobenzene has a molecular weight of 269.95 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bromoethoxy)-2,3-dichlorobenzene is sourced from PubChem (CID 67903309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).