BIAdb CID531103 1755

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BIAdb CID531103 1755
Systematic (IUPAC) name
3-methylbut-2-enyl 2-chlorobenzoate
Identifiers
CAS number	?
ATC code	?
PubChem	531103
Chemical data
Formula	C12H13ClO2
Mol. mass	224.68342
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

Contents 1 Description 2 Source 3 Function 4 General Properties 5 External Links

[edit] Description

[edit] Source

N/A

[edit] Function

Unknown

[edit] General Properties

*Molecular Weight

224.68342

*Exact Mass

224.060407

*Molecular Formula

C₁₂H₁₃ClO₂

*IUPAC NAME

3-methylbut-2-enyl 2-chlorobenzoate

*Canonical Smiles

CC(=CCOC(=O)C1=CC=CC=C1Cl)C

*Isomeric Smiles

N/A

*XLogP

3.9

*Hydrogen bond donor

0

*Hydrogen bond acceptor

2

*Rotational Bond Count

4

*Topological Polar Surface Area

26.3

[edit] External Links

• Pubchem

Link to BIAdb Database