Phosphoric acid, dimethyl 3-isopropyl-4-nitrophenyl ester
Basic information
- CAS
13074-11-8- Standard SMILES
COP(=O)(OC)Oc1ccc([N+](=O)[O-])c(C(C)C)c1- InChIKey
FFXJBGZEAHBHCF-UHFFFAOYSA-N- Molecular formula
- C11H16NO6P
- Average molar mass
- 289.22 g/mol
- Monoisotopic mass
- 289.07152423
Names & identifiers
- Preferred name
- Phosphoric acid, dimethyl 3-isopropyl-4-nitrophenyl ester
- IUPAC
- dimethyl (4-nitro-3-propan-2-ylphenyl) phosphate
- English name
- Phosphoric acid 3-isopropyl-4-nitrophenyldimethyl ester
- Molecular formula
- C11H16NO6P
- Molecular weight
- 289.22
Names & synonyms
13074-11-8Dimethyl 3-isopropyl-4-nitrophenyl phosphatePhosphoric acid, dimethyl 3-isopropyl-4-nitrophenyl esterBRN 2295015DTXSID70156705RefChem:370971DTXCID4079196Phosphoric acid 3-isopropyl-4-nitrophenyldimethyl esterdimethyl (4-nitro-3-propan-2-ylphenyl) phosphatedimethyl 4-nitro-3-(propan-2-yl)phenyl phosphateCHEMBL345470Phosphoric acid dimethyl 3-isopropyl-4-nitrophenyl ester
Show more names
Phosphoric acid, dimethyl 3-(1-methylethyl)-4-nitrophenyl ester
Database identifiers
- CAS
13074-11-8- PubChem CID
- 83106
- DTXSID
DTXSID70156705- ChEMBL
CHEMBL345470- Nikkaji
- J96.824B
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 90.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 348
Experimental & physicochemical properties
LogP2.57
Physicochemical properties
- Boiling point
- 364.2 · 364.2±42.0 °C(Predicted)
- Density
- 1.264 · 1.264±0.06 g/cm3(Predicted)
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Related reactions
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Compound notes
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