Ethyl 2-Chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate - CAS 187035-79-6
Catalog: |
BB014387 |
Product Name: |
Ethyl 2-Chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate |
CAS: |
187035-79-6 |
Synonyms: |
2-chloro-4-(trifluoromethyl)-5-pyrimidinecarboxylic acid ethyl ester; ethyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate |
IUPAC Name: | ethyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate |
Description: | Ethyl 2-Chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate (CAS# 187035-79-6) is a useful research chemical. |
Molecular Weight: | 254.59 |
Molecular Formula: | C8H6ClF3N2O2 |
Canonical SMILES: | CCOC(=O)C1=CN=C(N=C1C(F)(F)F)Cl |
InChI: | InChI=1S/C8H6ClF3N2O2/c1-2-16-6(15)4-3-13-7(9)14-5(4)8(10,11)12/h3H,2H2,1H3 |
InChI Key: | UDDSDBJYAMHCCW-UHFFFAOYSA-N |
Boiling Point: | 336.2 °C at 760 mmHg |
Density: | 1.448 g/cm3 |
MDL: | MFCD01312372 |
LogP: | 2.32550 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
AU-2018357878-A1 | Spirocyclic compounds as farnesoid X receptor modulators | 20171101 |
CA-3081424-A1 | Spirocyclic compounds as farnesoid x receptor modulators | 20171101 |
CN-111278821-A | Spiro compounds as farnesoid X receptor modulators | 20171101 |
TW-201922737-A | Spiro compound as a farnesol X receptor modulator | 20171101 |
US-2019127362-A1 | Spirocyclic compounds as farnesoid x receptor modulators | 20171101 |
Complexity: | 262 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 254.0069896 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 254.0069896 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 52.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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