2-(Bromomethyl)-1-naphthonitrile
Basic information
- CAS
67266-37-9- Standard SMILES
N#Cc1c(CBr)ccc2ccccc12- InChIKey
UFRPXCNHQBMEKJ-UHFFFAOYSA-N- Molecular formula
- C12H8BrN
- Average molar mass
- 246.1 g/mol
- Monoisotopic mass
- 244.98401
Names & identifiers
- Preferred name
- 2-(Bromomethyl)-1-naphthonitrile
- IUPAC
- 2-(bromomethyl)naphthalene-1-carbonitrile
- English name
- 2-(BroMoMethyl)-1-naphthonitrile
- Molecular formula
- C12H8BrN
- Molecular weight
- 246.1
Names & synonyms
2-(Bromomethyl)-1-naphthonitrile67266-37-92-(bromomethyl)naphthalene-1-carbonitrileNSC118083SCHEMBL4594281SCHEMBL30439535DTXSID30297784NSC-1180831-Naphthalenecarbonitrile, 2-(bromomethyl)-
Database identifiers
- CAS
67266-37-9- PubChem CID
- 273121
- DTXSID
DTXSID30297784
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 242
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- Comptox DTXSID
- 30297784 · DTXSID30297784
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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