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Basic information
- CAS
885227-89-4- Standard SMILES
CSc1ccc2ccc(Br)cc2c1- InChIKey
FNVIVQVYYAYNQM-UHFFFAOYSA-N- Molecular formula
- C11H9BrS
- Average molar mass
- 253.16 g/mol
- Monoisotopic mass
- 251.96083
Names & identifiers
- Preferred name
- 2-Bromo-7-(methylsulfanyl)naphthalene
- IUPAC
- 2-bromo-7-methylsulfanylnaphthalene
Names & synonyms
2-bromo-7-(methylsulfanyl)naphthalene885227-89-4(7-bromonaphthalen-2-yl)(methyl)sulfaneSCHEMBL3556399FNVIVQVYYAYNQM-UHFFFAOYSA-NMFCD34575414EN300-37158318
Database identifiers
- CAS
885227-89-4- PubChem CID
- 44550985
- EC Number
- 876-300-8
Properties
Computed structural propertiesFilling in
- XLogP
- 4.4
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 171
Related reactions
4 records
Compound notes
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