Methyl 4-[(4-nitrophenoxy)methyl]benzoate - CAS 324544-87-8
Catalog: |
BB047796 |
Product Name: |
Methyl 4-[(4-nitrophenoxy)methyl]benzoate |
CAS: |
324544-87-8 |
Synonyms: |
4-(4-Nitro-phenoxymethyl)-benzoic acid methyl ester |
IUPAC Name: | methyl 4-[(4-nitrophenoxy)methyl]benzoate |
Description: | Methyl 4-[(4-nitrophenoxy)methyl]benzoate (CAS# 324544-87-8 ) is a useful research chemical. |
Molecular Weight: | 287.27 |
Molecular Formula: | C15H13NO5 |
Canonical SMILES: | COC(=O)C1=CC=C(C=C1)COC2=CC=C(C=C2)[N+](=O)[O-] |
InChI: | InChI=1S/C15H13NO5/c1-20-15(17)12-4-2-11(3-5-12)10-21-14-8-6-13(7-9-14)16(18)19/h2-9H,10H2,1H3 |
InChI Key: | ARBWUFQHVAYJKT-UHFFFAOYSA-N |
Complexity: | 352 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 287.07937252 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 287.07937252 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 81.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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