CAS
955328-46-8 Purity
96%
955328-46-8 Purity
96%
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4-Butoxy-3-chloro-5-methoxybenzoic acid
CAS
955-36-2
Catalog Number
ACM955362
Category
Other Products
Molecular Weight
257.6907
Molecular Formula
C12H15ClO4
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Specification
Synonyms
ZINC02181840, CID1817880, 955-36-2
IUPAC Name
4-butoxy-3-chloro-5-methoxybenzoate
Canonical SMILES
CCCCOC1=C(C=C(C=C1Cl)C(=O)O)OC
InChI Key
GEFFQWTVLBEQKZ-UHFFFAOYSA-M
Boiling Point
367.7ºC at 760mmHg
Density
g/cm³
Exact Mass
258.06600
H-Bond Acceptor
4
H-Bond Donor
0
What is the molecular formula of 4-Butoxy-3-chloro-5-methoxybenzoic acid?
The molecular formula of 4-Butoxy-3-chloro-5-methoxybenzoic acid is C12H15ClO4.
When was 4-Butoxy-3-chloro-5-methoxybenzoic acid created and modified in PubChem?
4-Butoxy-3-chloro-5-methoxybenzoic acid was created on 2005-07-12 and modified on 2023-12-30.
What is the IUPAC name of 4-Butoxy-3-chloro-5-methoxybenzoic acid?
The IUPAC name of 4-Butoxy-3-chloro-5-methoxybenzoic acid is 4-butoxy-3-chloro-5-methoxybenzoic acid.
What is the InChIKey of 4-Butoxy-3-chloro-5-methoxybenzoic acid?
The InChIKey of 4-Butoxy-3-chloro-5-methoxybenzoic acid is GEFFQWTVLBEQKZ-UHFFFAOYSA-N.
What is the canonical SMILES representation of 4-Butoxy-3-chloro-5-methoxybenzoic acid?
The canonical SMILES representation of 4-Butoxy-3-chloro-5-methoxybenzoic acid is CCCCOC1=C(C=C(C=C1Cl)C(=O)O)OC.
What is the molecular weight of 4-Butoxy-3-chloro-5-methoxybenzoic acid?
The molecular weight of 4-Butoxy-3-chloro-5-methoxybenzoic acid is 258.70 g/mol.
How many hydrogen bond donor counts does 4-Butoxy-3-chloro-5-methoxybenzoic acid have?
4-Butoxy-3-chloro-5-methoxybenzoic acid has 1 hydrogen bond donor count.
What is the topological polar surface area of 4-Butoxy-3-chloro-5-methoxybenzoic acid?
The topological polar surface area of 4-Butoxy-3-chloro-5-methoxybenzoic acid is 55.8 Ų.
Is 4-Butoxy-3-chloro-5-methoxybenzoic acid a canonicalized compound?
Yes, 4-Butoxy-3-chloro-5-methoxybenzoic acid is a canonicalized compound.
How many rotatable bond counts does 4-Butoxy-3-chloro-5-methoxybenzoic acid have?
4-Butoxy-3-chloro-5-methoxybenzoic acid has 6 rotatable bond counts.
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