p-Nitrophenyl p-decyloxybenzoate
Basic information
- CAS
63635-84-7- Standard SMILES
CCCCCCCCCCOc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2)cc1- InChIKey
SYQHCBATGVPGPV-UHFFFAOYSA-N- Molecular formula
- C23H29NO5
- Average molar mass
- 399.5 g/mol
- Monoisotopic mass
- 399.20457303
Names & identifiers
- Preferred name
- p-Nitrophenyl p-decyloxybenzoate
- IUPAC
- (4-nitrophenyl) 4-decoxybenzoate
- English name
- p-Nitrophenyl p-decyloxybenzoate
- Molecular formula
- C23H29NO5
- Molecular weight
- 399.48
Names & synonyms
p-Nitrophenyl p-decyloxybenzoate63635-84-7DTXSID30213005RefChem:169366DTXCID90135496SYQHCBATGVPGPV-UHFFFAOYSA-N4-Nitrophenyl 4-(decyloxy)benzoate(4-nitrophenyl) 4-decoxybenzoateMFCD000437814-nitrophenyl 4-decyloxybenzoateSCHEMBL3616954SBB007895
Show more names
NISTC63635847TIMTEC-BB SBB007895Benzoic acid, 4-(decyloxy)-, 4-nitrophenyl ester
4-Nitrophenyl 4-(decyloxy)benzoate #AKOS015839787DB-219018ST508282244-Decyloxy-benzoic acid 4-nitro-phenyl esterF341841
Database identifiers
- CAS
63635-84-7- PubChem CID
- 144017
- DTXSID
DTXSID30213005
Properties
Computed structural properties
- XLogP
- 7.8
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 13
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 462
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical structure
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Compound notes
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