Methyl 2-Nitro-4-(trifluoromethyl)phenylacetate - CAS 13544-07-5
Catalog: |
BB008173 |
Product Name: |
Methyl 2-Nitro-4-(trifluoromethyl)phenylacetate |
CAS: |
13544-07-5 |
Synonyms: |
2-[2-nitro-4-(trifluoromethyl)phenyl]acetic acid methyl ester; methyl 2-[2-nitro-4-(trifluoromethyl)phenyl]acetate |
IUPAC Name: | methyl 2-[2-nitro-4-(trifluoromethyl)phenyl]acetate |
Description: | Methyl 2-Nitro-4-(trifluoromethyl)phenylacetate (CAS# 13544-07-5) is a useful research chemical. |
Molecular Weight: | 263.17 |
Molecular Formula: | C10H8F3NO4 |
Canonical SMILES: | COC(=O)CC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-] |
InChI: | InChI=1S/C10H8F3NO4/c1-18-9(15)4-6-2-3-7(10(11,12)13)5-8(6)14(16)17/h2-3,5H,4H2,1H3 |
InChI Key: | WFQOIJIXNFOYCM-UHFFFAOYSA-N |
Boiling Point: | 277.7 ℃ at 760 mmHg |
Density: | 1.402 g/cm3 |
Storage: | Sealed in dry, 2-8 ℃ |
LogP: | 2.85230 |
Publication Number | Title | Priority Date |
EP-2451783-A2 | Lonidamine analogues for fertility management | 20090706 |
JP-2012532198-A | Lonidamine analog for fertility management | 20090706 |
KR-20120069658-A | Ronidamine analogues for fertility control | 20090706 |
KR-20140070637-A | Lonidamine analogues for fertility management | 20090706 |
WO-2011005759-A2 | Lonidamine analogues for fertility management | 20090706 |
Complexity: | 326 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 263.04054222 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 263.04054222 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 72.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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