4-(Difluoromethoxy)phenylboronic Acid Pinacol Ester - CAS 887757-48-4
Catalog: |
BB039200 |
Product Name: |
4-(Difluoromethoxy)phenylboronic Acid Pinacol Ester |
CAS: |
887757-48-4 |
Synonyms: |
2-[4-(difluoromethoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 2-[4-(difluoromethoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
IUPAC Name: | 2-[4-(difluoromethoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
Description: | 4-(Difluoromethoxy)phenylboronic Acid Pinacol Ester (CAS# 887757-48-4) is a useful research chemical. |
Molecular Weight: | 270.08 |
Molecular Formula: | C13H17F2O3B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)OC(F)F |
InChI: | InChI=1S/C13H17BF2O3/c1-12(2)13(3,4)19-14(18-12)9-5-7-10(8-6-9)17-11(15)16/h5-8,11H,1-4H3 |
InChI Key: | BPFSJXBWEVRJFH-UHFFFAOYSA-N |
Boiling Point: | 319.269 °C at 760 mmHg |
Density: | 1.134 g/cm3 |
MDL: | MFCD09878543 |
LogP: | 2.58720 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
TW-202045498-A | Substituted bicyclic compounds as farnesoid x receptor modulators | 20190215 |
TW-202039490-A | Heterobicyclic inhibitors of mat2a and methods of use for treating cancer | 20181227 |
CN-111936499-A | Heterobicyclic inhibitors of MAT2A and methods for treating cancer | 20180330 |
BR-112020020104-A2 | heterobyclic inhibitors of mat2a and methods of use for the treatment of cancer | 20180330 |
KR-20200138769-A | Heterobicyclic inhibitors of Mat2A and methods of use thereof for cancer treatment | 20180330 |
Complexity: | 299 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 270.1238809 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 270.1238809 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 27.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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