2-[5-Ethyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]butanoic acid - CAS 1855891-10-9
Catalog: |
BB050657 |
Product Name: |
2-[5-Ethyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]butanoic acid |
CAS: |
1855891-10-9 |
Synonyms: |
1H-Pyrazole-1-acetic acid, α,5-diethyl-3-(trifluoromethyl)- |
IUPAC Name: | 2-[5-ethyl-3-(trifluoromethyl)pyrazol-1-yl]butanoic acid |
Molecular Weight: | 250.22 |
Molecular Formula: | C10H13F3N2O2 |
Canonical SMILES: | CCC1=CC(=NN1C(CC)C(=O)O)C(F)(F)F |
InChI: | InChI=1S/C10H13F3N2O2/c1-3-6-5-8(10(11,12)13)14-15(6)7(4-2)9(16)17/h5,7H,3-4H2,1-2H3,(H,16,17) |
InChI Key: | XZMWNVOEHOFXBQ-UHFFFAOYSA-N |
Boiling Point: | 318.2±42.0°C (Predicted) |
Purity: | ≥95% |
Density: | 1.33±0.1 g/cm3 (Predicted) |
Complexity: | 283 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 250.09291215 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 250.09291215 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 55.1 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
-
Catalog: BB051699
(1-(2,2-Difluoroethyl)-1H-pyrazol-4-yl)methanamine hydrochloride
Detail
-
Catalog: BB050063
(1,3-Dimethyl-1H-pyrazole-5-yl)methanol
Detail
-
Catalog: BB014397
(1,3,5-Trimethyl-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: BB053510
(1,3-Dimethyl-1H-pyrazol-4-yl)methylamine hydrochloride
Detail
-
Catalog: BB050668
(1-(2,2,2-Trifluoroethyl)-1H-pyrazol-4-yl)methanol
Detail
-
Catalog: BB045656
([5-(1-Ethyl-1H-pyrazol-3-yl)-4-(tetrahydrofuran-2-ylmethyl)-4H-1,2,4-triazol-3-yl]thio)acetic acid
Detail
-
Catalog: BB045655
((5-[(4-Chloro-3-methyl-1H-pyrazol-1-yl)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetic acid
Detail
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Fluorinated Building Blocks
Pyrazoles
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS