3,5-dibromo-2-methylbenzoyl chloride

C8H5Br2ClO — CID 171002957

IUPAC3,5-dibromo-2-methylbenzoyl chloride
SMILESCc1c(Br)cc(Br)cc1C(=O)Cl
InChIInChI=1S/C8H5Br2ClO/c1-4-6(8(11)12)2-5(9)3-7(4)10/h2-3H,1H3
InChIKeyPIMGYCMDNTXCNP-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.90
Rot. Bonds1

About 3,5-dibromo-2-methylbenzoyl chloride

3,5-dibromo-2-methylbenzoyl chloride (PubChem CID 171002957) has the molecular formula C8H5Br2ClO and a molecular weight of 312.39 g/mol. Its IUPAC name is 3,5-dibromo-2-methylbenzoyl chloride.

Molecular Properties

Compound Name3,5-dibromo-2-methylbenzoyl chloride
PubChem CID171002957
Molecular FormulaC8H5Br2ClO
Molecular Weight312.39 g/mol
Exact Mass309.84
IUPAC Name3,5-dibromo-2-methylbenzoyl chloride
SMILESCc1c(Br)cc(Br)cc1C(=O)Cl
InChIInChI=1S/C8H5Br2ClO/c1-4-6(8(11)12)2-5(9)3-7(4)10/h2-3H,1H3
InChIKeyPIMGYCMDNTXCNP-UHFFFAOYSA-N
XLogP3.90
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-3-chloro-2-methylbenzoyl chloride
CID 171032785
3-bromo-5-chlorosulfonyl-2-methylbenzoyl chloride
CID 116739996
5-bromo-2-chloro-3-methylbenzoyl chloride
CID 51000143
5-bromo-2-methoxy-3,4-dimethylbenzoyl chloride
CID 50883137
5-bromo-2,3-dichlorobenzoyl chloride
CID 171032872
4-bromobenzene-1,2-dicarbonyl chloride
CID 14784692
5-bromo-3-carbonochloridoyl-2-fluorobenzoic acid
CID 144713812
4-bromo-5-chloro-2-methylbenzoyl chloride
CID 171032784
4-bromo-2-chloro-5-methylbenzoyl chloride
CID 168975431
bis(3-bromo-2,5-dimethylphenyl)methanone
CID 139698433
2-bromo-4-fluoro-5-methylbenzoyl chloride
CID 171033249
3-bromo-2,5-dimethylbenzoic acid
CID 59238245

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-2-methylbenzoyl chloride?
The IUPAC name of 3,5-dibromo-2-methylbenzoyl chloride (CID 171002957) is 3,5-dibromo-2-methylbenzoyl chloride.
What is the SMILES notation for 3,5-dibromo-2-methylbenzoyl chloride?
The canonical SMILES for 3,5-dibromo-2-methylbenzoyl chloride is Cc1c(Br)cc(Br)cc1C(=O)Cl.
What is the InChIKey of 3,5-dibromo-2-methylbenzoyl chloride?
The InChIKey is PIMGYCMDNTXCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Br2ClO/c1-4-6(8(11)12)2-5(9)3-7(4)10/h2-3H,1H3.
What are the key properties of 3,5-dibromo-2-methylbenzoyl chloride?
3,5-dibromo-2-methylbenzoyl chloride has a molecular weight of 312.39 g/mol, XLogP of 3.90, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-2-methylbenzoyl chloride is sourced from PubChem (CID 171002957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).