3-bromo-5-chloro-2,6-dimethoxybenzoyl chloride

C9H7BrCl2O3 — CID 13202164

IUPAC3-bromo-5-chloro-2,6-dimethoxybenzoyl chloride
SMILESCOc1c(Cl)cc(Br)c(OC)c1C(=O)Cl
InChIInChI=1S/C9H7BrCl2O3/c1-14-7-4(10)3-5(11)8(15-2)6(7)9(12)13/h3H,1-2H3
InChIKeyMYQYCWVTGUHWRT-UHFFFAOYSA-N
MW313.96 g/mol
LogP3.50
Rot. Bonds3

About 3-bromo-5-chloro-2,6-dimethoxybenzoyl chloride

3-bromo-5-chloro-2,6-dimethoxybenzoyl chloride (PubChem CID 13202164) has the molecular formula C9H7BrCl2O3 and a molecular weight of 313.96 g/mol. Its IUPAC name is 3-bromo-5-chloro-2,6-dimethoxybenzoyl chloride.

Molecular Properties

Compound Name3-bromo-5-chloro-2,6-dimethoxybenzoyl chloride
PubChem CID13202164
Molecular FormulaC9H7BrCl2O3
Molecular Weight313.96 g/mol
Exact Mass311.90
IUPAC Name3-bromo-5-chloro-2,6-dimethoxybenzoyl chloride
SMILESCOc1c(Cl)cc(Br)c(OC)c1C(=O)Cl
InChIInChI=1S/C9H7BrCl2O3/c1-14-7-4(10)3-5(11)8(15-2)6(7)9(12)13/h3H,1-2H3
InChIKeyMYQYCWVTGUHWRT-UHFFFAOYSA-N
XLogP3.50
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.96
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-bromo-2,5-dichloro-6-methoxybenzoate
CID 118562173
1-(4-bromo-6-chloro-2,3-dimethoxyphenyl)ethanone
CID 117473741
lithium;(3-bromo-5-chloro-2,6-dimethoxyphenyl)-(2-methylpropylphosphanyl)methanone;hydride
CID 174399366
1-(3-bromo-2,5-dichloro-6-methoxyphenyl)ethanone;1-(3,6-dichloro-2-methoxyphenyl)ethanone
CID 158928110
1-(3-bromo-5-chloro-4-methoxyphenyl)-2-chloroethanone
CID 171002004
6-chloro-3-iodo-2-methoxybenzoyl chloride
CID 171003173
1-bromo-5-chloro-3,4-dimethoxy-2-methylbenzene
CID 84711440
4-chloro-2,6-dimethoxybenzoyl chloride
CID 21317234
(3-bromo-5-chloro-2,6-dimethoxyphenyl)-cyclohexylphosphanylidenemethanolate
CID 141023017
2-bromo-4-methoxy-6-methylbenzoyl chloride
CID 171004487
3-chloro-2-methoxy-5-methylbenzoyl chloride
CID 50882225
1-(3-bromo-2,5,6-trimethoxyphenyl)ethanone
CID 117466723

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-2,6-dimethoxybenzoyl chloride?
The IUPAC name of 3-bromo-5-chloro-2,6-dimethoxybenzoyl chloride (CID 13202164) is 3-bromo-5-chloro-2,6-dimethoxybenzoyl chloride.
What is the SMILES notation for 3-bromo-5-chloro-2,6-dimethoxybenzoyl chloride?
The canonical SMILES for 3-bromo-5-chloro-2,6-dimethoxybenzoyl chloride is COc1c(Cl)cc(Br)c(OC)c1C(=O)Cl.
What is the InChIKey of 3-bromo-5-chloro-2,6-dimethoxybenzoyl chloride?
The InChIKey is MYQYCWVTGUHWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrCl2O3/c1-14-7-4(10)3-5(11)8(15-2)6(7)9(12)13/h3H,1-2H3.
What are the key properties of 3-bromo-5-chloro-2,6-dimethoxybenzoyl chloride?
3-bromo-5-chloro-2,6-dimethoxybenzoyl chloride has a molecular weight of 313.96 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-2,6-dimethoxybenzoyl chloride is sourced from PubChem (CID 13202164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).