Basic information
- CAS
72373-70-7- Standard SMILES
Cc1cc(O)c(C(C)(C)C)cc1[N+](=O)[O-]- InChIKey
LCIFJBVMAQCODX-UHFFFAOYSA-N- Molecular formula
- C11H15NO3
- Average molar mass
- 209.24 g/mol
- Monoisotopic mass
- 209.10519334
Names & identifiers
- Preferred name
- m-Cresol, 6-tert-butyl-4-nitro-
- IUPAC
- 2-tert-butyl-5-methyl-4-nitrophenol
- English name
- 3-Methyl-6-tert-butyl-4-nitrophenol
- Molecular weight
- 0
Names & synonyms
72373-70-7m-CRESOL, 6-tert-BUTYL-4-NITRO-6-tert-Butyl-4-nitro-m-cresolBRN 2112620DTXSID202226813-06-00-01984 (Beilstein Handbook Reference)NSC 78909RefChem:154868DTXCID501451722-tert-butyl-5-methyl-4-nitrophenol2-(tert-Butyl)-5-methyl-4-nitrophenol3-Methyl-6-tert-butyl-4-nitrophenol
Show more names
NSC78909starbld0011157NCIOpen2_004379orb1985669SCHEMBL17375007NSC-78909AKOS019823154AKOS040752963
Database identifiers
- CAS
72373-70-7- PubChem CID
- 51569
- DTXSID
DTXSID20222681- Nikkaji
- J67.702G
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 241
Chemistry & industry
Suppliers2 total
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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