2-[2-Nitro-4-(trifluoromethyl)phenyl]acetic Acid - CAS 1735-91-7
Catalog: |
BB012936 |
Product Name: |
2-[2-Nitro-4-(trifluoromethyl)phenyl]acetic Acid |
CAS: |
1735-91-7 |
Synonyms: |
2-[2-nitro-4-(trifluoromethyl)phenyl]acetic acid; 2-[2-nitro-4-(trifluoromethyl)phenyl]acetic acid |
IUPAC Name: | 2-[2-nitro-4-(trifluoromethyl)phenyl]acetic acid |
Description: | 2-[2-Nitro-4-(trifluoromethyl)phenyl]acetic Acid (CAS# 1735-91-7) is a useful research chemical. |
Molecular Weight: | 249.14 |
Molecular Formula: | C9H6F3NO4 |
Canonical SMILES: | C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])CC(=O)O |
InChI: | InChI=1S/C9H6F3NO4/c10-9(11,12)6-2-1-5(3-8(14)15)7(4-6)13(16)17/h1-2,4H,3H2,(H,14,15) |
InChI Key: | DUDZAZPWJFTDPV-UHFFFAOYSA-N |
Boiling Point: | 323.9 °C at 760 mmHg |
Density: | 1.535 g/cm3 |
MDL: | MFCD00091534 |
LogP: | 2.76390 |
GHS Hazard Statement: | H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P264, P280, P305+P351+P338, and P337+P313 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111484417-A | Preparation method of halofantrine hydrochloride | 20190125 |
US-10654834-B2 | Non-systemic TGR5 agonists | 20160701 |
US-2019330191-A1 | Novel non-systemic tgr5 agonists | 20160701 |
WO-2013093928-A1 | An improved process for preparing 2-oxindoles of formula i, a key raw material for making pharmaceutical drugs and intermediates thereof | 20111220 |
EP-2451783-A2 | Lonidamine analogues for fertility management | 20090706 |
Complexity: | 312 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 249.02489216 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 249.02489216 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 83.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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