Basic information
- CAS
17175-11-0- Standard SMILES
O=C(Oc1ccccc1)Oc1ccc([N+](=O)[O-])cc1- InChIKey
IICMBPLBSCZBTN-UHFFFAOYSA-N- Molecular formula
- C13H9NO5
- Average molar mass
- 259.21 g/mol
- Monoisotopic mass
- 259.04807239
Overview
structure in first source
Names & identifiers
- Preferred name
- 4-Nitrophenyl phenyl carbonate
- IUPAC
- (4-nitrophenyl) phenyl carbonate
- English name
- Carbonic acid phenyl(4-nitrophenyl) ester
- Molecular formula
- C13H9NO5
- Molecular weight
- 259.21
Names & synonyms
4-Nitrophenyl phenyl carbonateRefChem:91273117175-11-0Carbonic acid phenyl(4-nitrophenyl) ester(4-nitrophenyl) phenyl carbonateCarbonic acid, 4-nitrophenyl phenyl esterCarbonic acid, p-nitrophenyl phenyl esterSCHEMBL63223934-Nitrophenyl phenyl carbonate #IICMBPLBSCZBTN-UHFFFAOYSA-NDTXSID701269135MFCD30599313
Show more names
Carbonic acid phenyl 4-nitrophenyl esterCarbonic acid (p-nitrophenyl)phenyl ester
AS-78286D97212
Database identifiers
- CAS
17175-11-0- PubChem CID
- 555136
- DTXSID
DTXSID701269135- Nikkaji
- J142.384C
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 313
Chemistry & industry
Suppliers3 total
江苏倍达医药科技有限公司0512-63009836 18994340901 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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