3-Iodo-1-isobutyl-1H-pyrazole-4-carboxylic acid - CAS 1946813-20-2
Catalog: |
BB051030 |
Product Name: |
3-Iodo-1-isobutyl-1H-pyrazole-4-carboxylic acid |
CAS: |
1946813-20-2 |
Synonyms: |
1H-Pyrazole-4-carboxylic acid, 3-iodo-1-(2-methylpropyl)- |
IUPAC Name: | 3-iodo-1-(2-methylpropyl)pyrazole-4-carboxylic acid |
Molecular Weight: | 294.09 |
Molecular Formula: | C8H11IN2O2 |
Canonical SMILES: | CC(C)CN1C=C(C(=N1)I)C(=O)O |
InChI: | InChI=1S/C8H11IN2O2/c1-5(2)3-11-4-6(8(12)13)7(9)10-11/h4-5H,3H2,1-2H3,(H,12,13) |
InChI Key: | UGKWJBDKCFYMMS-UHFFFAOYSA-N |
Boiling Point: | 373.1±27.0°C (Predicted) |
Purity: | ≥95% |
Density: | 1.85±0.1 g/cm3 (Predicted) |
Complexity: | 199 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 293.98653 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 293.98653 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 55.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
-
Catalog: BB051514
(1,4-Dimethyl-3-nitro-1H-pyrazol-5-yl)methanol
Detail
-
Catalog: BB045250
(1,3-Diphenyl-1H-pyrazol-4-yl)methylamine
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: BB045656
([5-(1-Ethyl-1H-pyrazol-3-yl)-4-(tetrahydrofuran-2-ylmethyl)-4H-1,2,4-triazol-3-yl]thio)acetic acid
Detail
-
Catalog: BB050063
(1,3-Dimethyl-1H-pyrazole-5-yl)methanol
Detail
-
Catalog: BB051687
(1-(2,2,2-Trifluoroethyl)-1H-pyrazol-5-yl)methanol
Detail
-
Catalog: BB046900
(1,3-Dimethyl-1H-pyrazol-4-yl)methanamine
Detail
-
Catalog: BB050789
(1,4-Dimethyl-1H-pyrazol-5-yl)methanol
Detail
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Halides
Pyrazoles
Customers Also Viewed
-
[80935-77-9]
2,6-Naphthyridin-1(2H)-one
-
[1415761-37-3]
5,8-Dibromo-1,3-diaza-2,6,7-trithia-2H-trindene
-
[616-76-2]
5-Formylsalicylic acid
-
[1388152-02-0]
1,2-Cyclopentanediol, 3-amino-5-[(phosphonooxy)methy]-, ammonium salt (1:2), (1R,2S,3R,5R)-
-
[65039-10-3]
1-Allyl-3-methyl-3-imidazolium Chloride
-
[830-96-6]
3-Indolepropionic acid
INDUSTRY LEADERS TRUST OUR PRODUCTS