5-bromo-3-chloro-2-trimethylsilyloxybenzoic acid

C10H12BrClO3Si — CID 167718232

IUPAC5-bromo-3-chloro-2-trimethylsilyloxybenzoic acid
SMILESC[Si](C)(C)Oc1c(Cl)cc(Br)cc1C(=O)O
InChIInChI=1S/C10H12BrClO3Si/c1-16(2,3)15-9-7(10(13)14)4-6(11)5-8(9)12/h4-5H,1-3H3,(H,13,14)
InChIKeyHWTVKZJNZPBDRB-UHFFFAOYSA-N
MW323.65 g/mol
LogP4.01
Rot. Bonds3

About 5-bromo-3-chloro-2-trimethylsilyloxybenzoic acid

5-bromo-3-chloro-2-trimethylsilyloxybenzoic acid (PubChem CID 167718232) has the molecular formula C10H12BrClO3Si and a molecular weight of 323.65 g/mol. Its IUPAC name is 5-bromo-3-chloro-2-trimethylsilyloxybenzoic acid.

Molecular Properties

Compound Name5-bromo-3-chloro-2-trimethylsilyloxybenzoic acid
PubChem CID167718232
Molecular FormulaC10H12BrClO3Si
Molecular Weight323.65 g/mol
Exact Mass321.94
IUPAC Name5-bromo-3-chloro-2-trimethylsilyloxybenzoic acid
SMILESC[Si](C)(C)Oc1c(Cl)cc(Br)cc1C(=O)O
InChIInChI=1S/C10H12BrClO3Si/c1-16(2,3)15-9-7(10(13)14)4-6(11)5-8(9)12/h4-5H,1-3H3,(H,13,14)
InChIKeyHWTVKZJNZPBDRB-UHFFFAOYSA-N
XLogP4.01
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.65
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-5-methoxy-2-trimethylsilyloxybenzoic acid
CID 167741862
6-bromo-8-chloro-2-methylquinoline-4-carboxylic acid
CID 82184087
1-(5-bromo-3-fluoro-2-trimethylsilyloxyphenyl)propan-1-one
CID 167738210
2-amino-4-chloro-3-trimethylsilyloxybenzoic acid
CID 167731210
3,5-dibromo-2-methoxybenzoic acid
CID 643392
7-bromo-1,5-dichloroisoquinoline-3-carboxylic acid
CID 114517761
6-bromo-4-chloro-2,3-dimethylquinoline-8-carboxylic acid
CID 175016317
4-chloro-5-fluorosulfonyl-2-trimethylsilyloxybenzoic acid
CID 167730264
2,5-dibromobenzene-1,3-dicarboxylic acid
CID 22572011
5-bromo-3-methyl-2-(oxan-4-yloxy)benzoic acid
CID 112620907
(E)-3-(5-bromo-3-chloro-2-methoxyphenyl)prop-2-enoic acid
CID 898902
5-bromo-3-chloro-2-methylbenzoyl chloride
CID 171032785

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-2-trimethylsilyloxybenzoic acid?
The IUPAC name of 5-bromo-3-chloro-2-trimethylsilyloxybenzoic acid (CID 167718232) is 5-bromo-3-chloro-2-trimethylsilyloxybenzoic acid.
What is the SMILES notation for 5-bromo-3-chloro-2-trimethylsilyloxybenzoic acid?
The canonical SMILES for 5-bromo-3-chloro-2-trimethylsilyloxybenzoic acid is C[Si](C)(C)Oc1c(Cl)cc(Br)cc1C(=O)O.
What is the InChIKey of 5-bromo-3-chloro-2-trimethylsilyloxybenzoic acid?
The InChIKey is HWTVKZJNZPBDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClO3Si/c1-16(2,3)15-9-7(10(13)14)4-6(11)5-8(9)12/h4-5H,1-3H3,(H,13,14).
What are the key properties of 5-bromo-3-chloro-2-trimethylsilyloxybenzoic acid?
5-bromo-3-chloro-2-trimethylsilyloxybenzoic acid has a molecular weight of 323.65 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-2-trimethylsilyloxybenzoic acid is sourced from PubChem (CID 167718232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).