Methyl 4-[(2-chloro-4-nitrophenoxy)methyl]benzoate
Basic information
- CAS
30937-85-0- Standard SMILES
COC(=O)c1ccc(COc2ccc([N+](=O)[O-])cc2Cl)cc1- InChIKey
HPNHVTPCVGPQIC-UHFFFAOYSA-N- Molecular formula
- C15H12ClNO5
- Average molar mass
- 321.71 g/mol
- Monoisotopic mass
- 321.0404002
Names & identifiers
- Preferred name
- Methyl 4-[(2-chloro-4-nitrophenoxy)methyl]benzoate
- IUPAC
- methyl 4-[(2-chloro-4-nitrophenoxy)methyl]benzoate
- English name
- Benzoic acid,4-[(2-chloro-4-nitrophenoxy)methyl]-, methyl ester
- Molecular formula
- C15H12ClNO5
- Molecular weight
- 321.71
Names & synonyms
30937-85-0methyl 4-[(2-chloro-4-nitrophenoxy)methyl]benzoateMethyl 4-((2-chloro-4-nitrophenoxy)methyl)benzoate4-(2-Chloro-4-nitro-phenoxymethyl)-benzoic acid methyl esterNSC151658DTXSID40302499MFCD04967348SBB021337STK312681AKOS000305764AKOS015922412NSC-151658
Show more names
Benzoic acid,4-[(2-chloro-4-nitrophenoxy)methyl]-, methyl ester
CS-0301906ST45091787EN300-229049Methyl4-((2-chloro-4-nitrophenoxy)methyl)benzoatemethyl 4-[(2-chloro-4-nitro-phenoxy)methyl]benzoate
Database identifiers
- CAS
30937-85-0- PubChem CID
- 289495
- DTXSID
DTXSID40302499
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 392
Physicochemical properties
- Boiling point
- 474.4 · 474.4±40.0 °C(Predicted)
- Density
- 1.364 · 1.364±0.06 g/cm3(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
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Compound notes
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