Ethyl 2,2-Difluoro-2-(4-nitrophenyl)acetate - CAS 243656-25-9
Catalog: |
BB018434 |
Product Name: |
Ethyl 2,2-Difluoro-2-(4-nitrophenyl)acetate |
CAS: |
243656-25-9 |
Synonyms: |
2,2-difluoro-2-(4-nitrophenyl)acetic acid ethyl ester; ethyl 2,2-difluoro-2-(4-nitrophenyl)acetate |
IUPAC Name: | ethyl 2,2-difluoro-2-(4-nitrophenyl)acetate |
Description: | Ethyl 2,2-Difluoro-2-(4-nitrophenyl)acetate (CAS# 243656-25-9) is a useful research chemical. |
Molecular Weight: | 245.18 |
Molecular Formula: | C10H9F2NO4 |
Canonical SMILES: | CCOC(=O)C(C1=CC=C(C=C1)[N+](=O)[O-])(F)F |
InChI: | InChI=1S/C10H9F2NO4/c1-2-17-9(14)10(11,12)7-3-5-8(6-4-7)13(15)16/h3-6H,2H2,1H3 |
InChI Key: | UXKDKOBQYMDAIP-UHFFFAOYSA-N |
LogP: | 2.77290 |
Publication Number | Title | Priority Date |
EP-3205645-A1 | Heterocyclic compound | 20140418 |
EP-3205645-B1 | Heterocyclic compound | 20140418 |
JP-6529085-B2 | Heterocyclic compounds | 20140418 |
JP-WO2015159938-A1 | Heterocyclic compounds | 20140418 |
US-2017044132-A1 | Heterocyclic compound | 20140418 |
Complexity: | 295 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 245.04996409 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 245.04996409 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 72.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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