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Basic information
- CAS
6637-03-2- Standard SMILES
CC(C)(C)c1ccc(N=O)cc1- InChIKey
YMGWZTZRUVEZFB-UHFFFAOYSA-N- Molecular formula
- C10H13NO
- Average molar mass
- 163.22 g/mol
- Monoisotopic mass
- 163.09971404
Names & identifiers
- Preferred name
- 1-tert-Butyl-4-nitrosobenzene
- IUPAC
- 1-tert-butyl-4-nitrosobenzene
Names & synonyms
1-tert-Butyl-4-nitrosobenzene6637-03-26E6FIY1FYZNSC52350UNII-6E6FIY1FYZNSC 52350NSC-523504-t-butylnitrosobenzeneSCHEMBL12436341-tert-butyl-4-nitroso-benzene1-tert.-Butyl-4-NitrosobenzeneP-TERT-BUTYLNITROSOBENZENE
Show more names
DTXSID50216593Benzene, 1-(1,1-dimethylethyl)-4-nitroso-1-(1,1-DIMETHYLETHYL)-4-NITROSOBENZENEInChI=1/C10H13NO/c1-10(2,3)8-4-6-9(11-12)7-5-8/h4-7H,1-3H
Database identifiers
- CAS
6637-03-2- PubChem CID
- 243111
- DTXSID
DTXSID50216593- UNII
- 6E6FIY1FYZ
- Nikkaji
- J1.306.111D
Properties
Computed structural propertiesFilling in
- XLogP
- 3
- Topological polar surface area
- 29.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 152
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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