Methyl 2-(4-Bromo-3,6-difluoro-2-nitrophenoxy)acetate - CAS 1221502-85-7
Catalog: |
BB005349 |
Product Name: |
Methyl 2-(4-Bromo-3,6-difluoro-2-nitrophenoxy)acetate |
CAS: |
1221502-85-7 |
Synonyms: |
2-(4-bromo-3,6-difluoro-2-nitrophenoxy)acetic acid methyl ester; methyl 2-(4-bromo-3,6-difluoro-2-nitrophenoxy)acetate |
IUPAC Name: | methyl 2-(4-bromo-3,6-difluoro-2-nitrophenoxy)acetate |
Description: | Methyl 2-(4-Bromo-3,6-difluoro-2-nitrophenoxy)acetate (CAS# 1221502-85-7 ) is a useful research chemical. |
Molecular Weight: | 326.05 |
Molecular Formula: | C9H6BrF2NO5 |
Canonical SMILES: | COC(=O)COC1=C(C(=C(C=C1F)Br)F)[N+](=O)[O-] |
InChI: | InChI=1S/C9H6BrF2NO5/c1-17-6(14)3-18-9-5(11)2-4(10)7(12)8(9)13(15)16/h2H,3H2,1H3 |
InChI Key: | AQUVYPQSMDKXHB-UHFFFAOYSA-N |
LogP: | 2.71050 |
Publication Number | Title | Priority Date |
US-2010094000-A1 | Pyrazole compounds | 20080903 |
Complexity: | 327 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 324.93974 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 324.93974 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 81.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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