Methyl 1-(4-fluorobenzyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxylate - CAS 1946828-27-8
Catalog: |
BB051100 |
Product Name: |
Methyl 1-(4-fluorobenzyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxylate |
CAS: |
1946828-27-8 |
Synonyms: |
1H-Pyrazole-3-carboxylic acid, 1-[(4-fluorophenyl)methyl]-5-(trifluoromethyl)-, methyl ester |
IUPAC Name: | methyl 1-[(4-fluorophenyl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxylate |
Molecular Weight: | 302.22 |
Molecular Formula: | C13H10F4N2O2 |
Canonical SMILES: | COC(=O)C1=NN(C(=C1)C(F)(F)F)CC2=CC=C(C=C2)F |
InChI: | InChI=1S/C13H10F4N2O2/c1-21-12(20)10-6-11(13(15,16)17)19(18-10)7-8-2-4-9(14)5-3-8/h2-6H,7H2,1H3 |
InChI Key: | XTDVCOVFBYQCRU-UHFFFAOYSA-N |
Boiling Point: | 378.4±42.0°C at 760 mmHg |
Density: | 1.4±0.1 g/cm3 |
Complexity: | 370 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 302.06784021 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 302.06784021 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 44.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
-
Catalog: BB050668
(1-(2,2,2-Trifluoroethyl)-1H-pyrazol-4-yl)methanol
Detail
-
Catalog: BB045654
((4-Ethyl-5-[(3-methyl-1H-pyrazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl)thio)acetic acid
Detail
-
Catalog: BB052021
(1-Cyclopentyl-1H-pyrazol-5-yl)methanol
Detail
-
Catalog: BB051882
(1-Cyclopentyl-1H-pyrazol-3-yl)methanol
Detail
-
Catalog: BB051687
(1-(2,2,2-Trifluoroethyl)-1H-pyrazol-5-yl)methanol
Detail
-
Catalog: BB051531
(1E)-1-[1-(2,2,2-Trifluoroethyl)-1H-pyrazol-3-yl]ethanone oxime
Detail
-
Catalog: BB014397
(1,3,5-Trimethyl-1H-pyrazol-4-yl)methanol
Detail
-
Catalog: BB047664
(1E)-3-(4-Chloro-1H-pyrazol-1-yl)-N'-hydroxy-2-methylpropanimidamide
Detail
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Fluorinated Building Blocks
-
[1106917-71-8]C8H10ClF2NO
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
-
[2367-82-0]C6H2F4
1,2,3,5-Tetrafluorobenzene
-
[479552-94-8]C8H5F3N2O3S
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
-
[865774-78-3]C16H21F2NO2
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
-
[1170836-29-9]C12H12F3N5
3-(1',3'-Dimethyl-5-(trifluoromethyl)-1'H,2H-[3,4'-bipyrazol]-2-yl)propanenitrile
-
[351-28-0]C8H8FNO
3'-Fluoroacetanilide
Pyrazoles
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS