(4-Chloro-2-isopropyl-5-methylphenoxy)acetic acid
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Basic information
- CAS
5411-11-0- Standard SMILES
Cc1cc(OCC(=O)O)c(C(C)C)cc1Cl- InChIKey
MOUGPRIBEJMFGP-UHFFFAOYSA-N- Molecular formula
- C12H15ClO3
- Average molar mass
- 242.7 g/mol
- Monoisotopic mass
- 242.070972
Names & identifiers
- Preferred name
- (4-Chloro-2-isopropyl-5-methylphenoxy)acetic acid
- IUPAC
- 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)acetic acid
- English name
- (4-CHLORO-2-ISOPROPYL-5-METHYL-PHENOXY)-ACETIC ACID
- Molecular formula
- C12H15ClO3
- Molecular weight
- 242.7
Names & synonyms
5411-11-0(4-chloro-2-isopropyl-5-methylphenoxy)acetic acid(4-Chloro-2-isopropyl-5-methyl-phenoxy)-acetic acid2-(4-Chloro-2-isopropyl-5-methylphenoxy)acetic acid2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)acetic acid[4-chloro-5-methyl-2-(propan-2-yl)phenoxy]acetic acid2-[4-chloro-5-methyl-2-(propan-2-yl)phenoxy]acetic acid2-[4-chloro-5-methyl-2-(methylethyl)phenoxy]acetic acidNSC10912SCHEMBL17310795DTXSID80968992FAA41111
Show more names
2-[4-Chloro-5-methyl-2-(1-methylethyl)phenoxy]acetic acidAcetic acid, 2-[4-chloro-5-methyl-2-(1-methylethyl)phenoxy]-
NSC-10912SBB079361STK315410AKOS001062971DB-391589ST45141948EN300-06286G35185
Database identifiers
- CAS
5411-11-0- PubChem CID
- 223350
- DTXSID
DTXSID80968992
Properties
Computed structural propertiesFilling in
- XLogP
- 3.6
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 242
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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