Basic information
- CAS
1536367-22-2- Standard SMILES
O=C(Nc1cc(Br)cc(C(=O)O)c1)OCC1c2ccccc2-c2ccccc21- InChIKey
SQCXEGVHJHUWTJ-UHFFFAOYSA-N- Molecular formula
- C22H16BrNO4
- Average molar mass
- 438.3 g/mol
- Monoisotopic mass
- 437.02627
Names & identifiers
- Preferred name
- 3-bromo-5-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)benzoic acid
- IUPAC
- 3-bromo-5-(9H-fluoren-9-ylmethoxycarbonylamino)benzoic acid
Names & synonyms
1536367-22-23-bromo-5-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)benzoic acid3-bromo-5-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)benzoic acidRefChem:498757882-989-63-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-5-bromobenzoic acid3-bromo-5-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)benzoicacidAKOS020136204EN300-6500533-bromo-5-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}benzoic acid
Database identifiers
- CAS
1536367-22-2- PubChem CID
- 81557504
- EC Number
- 882-989-6
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 563
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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