1,3-Dimethyl 2-(2,3-difluoro-6-nitrophenyl)propanedioate - CAS 1400644-66-7
Catalog: |
BB066820 |
Product Name: |
1,3-Dimethyl 2-(2,3-difluoro-6-nitrophenyl)propanedioate |
CAS: |
1400644-66-7 |
Synonyms: |
1,3-DIMETHYL 2-(2,3-DIFLUORO-6-NITROPHENYL)PROPANEDIOATE; dimethyl 2-(2,3-difluoro-6-nitrophenyl)propanedioate; 1,3-DIMETHYL2-(2,3-DIFLUORO-6-NITROPHENYL)PROPANEDIOATE; Propanedioic acid, 2-(2,3-difluoro-6-nitrophenyl)-, 1,3-dimethyl ester |
IUPAC Name: | dimethyl 2-(2,3-difluoro-6-nitrophenyl)propanedioate |
Description: | 1,3-Dimethyl 2-(2,3-difluoro-6-nitrophenyl)propanedioate |
Molecular Weight: | 289.19 |
Molecular Formula: | C11H9F2NO6 |
Canonical SMILES: | COC(=O)C(C1=C(C=CC(=C1F)F)[N+](=O)[O-])C(=O)OC |
InChI: | InChI=1S/C11H9F2NO6/c1-19-10(15)8(11(16)20-2)7-6(14(17)18)4-3-5(12)9(7)13/h3-4,8H,1-2H3 |
InChI Key: | YABKWQZPQCSBNX-UHFFFAOYSA-N |
Complexity: | 383 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 289.03979333 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 289.03979333 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 98.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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