Basic information
- CAS
53581-38-7- Standard SMILES
O=C(O)c1cc2ccccc2c2cc(Br)ccc12- InChIKey
UEWHMHUEUVHQQH-UHFFFAOYSA-N- Molecular formula
- C15H9BrO2
- Average molar mass
- 301.13 g/mol
- Monoisotopic mass
- 299.97859163
Names & identifiers
- Preferred name
- 6-Bromophenanthrene-9-carboxylic acid
- IUPAC
- 6-bromophenanthrene-9-carboxylic acid
- English name
- 6-bromophenanthrene-9-carboxylic acid
- Molecular formula
- C15H9BrO2
- Molecular weight
- 301.13
Names & synonyms
6-bromophenanthrene-9-carboxylic acid53581-38-79-Phenanthrenecarboxylicacid, 6-bromo-MLS000766161NSC1512526-Bromo-9-phenanthroic acidSCHEMBL2853503CHEMBL1521339DTXSID00302490AKOS015958731NSC-1512526-Bromo-9-phenanthrenecarboxylic acid #
Show more names
9-Phenanthrenecarboxylic acid, 6-bromo-
DA-05123SMR000528637
Database identifiers
- CAS
53581-38-7- PubChem CID
- 289464
- DTXSID
DTXSID00302490- ChEMBL
CHEMBL1521339- Nikkaji
- J633.112B
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 330
Chemistry & industry
Suppliers1 total
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
Related reactions
2 records
Compound notes
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