Benzene, 1-methyl-4-(1-chloro-1-methylethyl)
Basic information
- CAS
7243-79-0- Standard SMILES
Cc1ccc(C(C)(C)Cl)cc1- InChIKey
ITTZHNHXCRWVKL-UHFFFAOYSA-N- Molecular formula
- C10H13Cl
- Average molar mass
- 168.66 g/mol
- Monoisotopic mass
- 168.0705781
Names & identifiers
- Preferred name
- Benzene, 1-methyl-4-(1-chloro-1-methylethyl)
- IUPAC
- 1-(2-chloropropan-2-yl)-4-methylbenzene
Names & synonyms
Benzene, 1-methyl-4-(1-chloro-1-methylethyl)7243-79-0DTXSID80335286RefChem:323820DTXCID302863751-(2-chloropropan-2-yl)-4-methylbenzenep-methylcumyl chlorideSCHEMBL10576971ITTZHNHXCRWVKL-UHFFFAOYSA-N
Database identifiers
- CAS
7243-79-0- PubChem CID
- 524328
- DTXSID
DTXSID80335286- Nikkaji
- J1.109.627A
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 121
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Compound notes
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