Basic information
- CAS
643753-17-7- Standard SMILES
O=C(O)COc1ccc(Nc2ccccc2)cc1- InChIKey
VBJDXERSMNNCTA-UHFFFAOYSA-N- Molecular formula
- C14H13NO3
- Average molar mass
- 243.26 g/mol
- Monoisotopic mass
- 243.08954328
Names & identifiers
- Preferred name
- 2-[4-(Phenylamino)phenoxy]acetic acid
- IUPAC
- 2-(4-anilinophenoxy)acetic acid
Names & synonyms
2-[4-(phenylamino)phenoxy]acetic acid643753-17-72-(4-(phenylamino)phenoxy)acetic acidRefChem:456547855-337-3(4-Phenylamino-phenoxy)-acetic acid2-(4-anilinophenoxy)acetic acidMFCD03950789MLS-0258798.0001Enamine_004503MLS000760748CHEMBL1488869
Show more names
BDBM65969cid_2396472HMS1406M15HMS2653L22TAB753172-[4-(phenylamino)phenoxy]aceticacidAKOS0089667982-(4-phenylazanylphenoxy)ethanoic acid
Database identifiers
- CAS
643753-17-7- PubChem CID
- 2396472
- ChEMBL
CHEMBL1488869- EC Number
- 855-337-3
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 256
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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