2-(1H-1,2,4-Triazol-1-yl)benzoic acid - CAS 138479-54-6
Catalog: |
BB053577 |
Product Name: |
2-(1H-1,2,4-Triazol-1-yl)benzoic acid |
CAS: |
138479-54-6 |
Synonyms: |
2-(1H-1,2,4-triazol-1-yl)benzenecarboxylic acid; Benzoic acid, 2-(1H-1,2,4-triazol-1-yl)- |
IUPAC Name: | 2-(1,2,4-triazol-1-yl)benzoic acid |
Molecular Weight: | 189.17 |
Molecular Formula: | C9H7N3O2 |
Canonical SMILES: | C1=CC=C(C(=C1)C(=O)O)N2C=NC=N2 |
InChI: | InChI=1S/C9H7N3O2/c13-9(14)7-3-1-2-4-8(7)12-6-10-5-11-12/h1-6H,(H,13,14) |
InChI Key: | INJKHFHZWYNONQ-UHFFFAOYSA-N |
Boiling Point: | 429.5±47.0 °C at 760 mmHg |
Purity: | 95% |
Density: | 1.4±0.1 g/cm3 |
Complexity: | 222 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 189.053826475 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 189.053826475 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 68 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
-
Catalog: BB051405
(3-Bromo-1H-1,2,4-triazol-1-yl)methanol
Detail
-
Catalog: BB009675
(5-Amino-1H-1,2,4-triazol-3-yl)acetic acid
Detail
-
Catalog: BB054256
((2S,4R)-2-((1H-1,2,4-Triazol-1-yl)methyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-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: BB054210
(4-Formyl-1H-[1,2,3]-triazol-1-yl)methyl pivalate
Detail
-
Catalog: BB049236
(3-Amino-1H-1,2,4-triazol-1-yl)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
-
Catalog: BB046198
(4-Tetrazol-1-yl-phenyl)-acetic acid hydrazide
Detail
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Triazole/Tetrazole
-
[1415314-22-5]C6H3ClIN3
6-Chloro-8-iodo-[1,2,4]triazolo[1,5-a]pyridine
-
[1005680-56-7]C13H16F3N5O2S
Ethyl ({4-ethyl-5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-YL]-4H-1,2,4-triazol-3-YL}thio)acetate
-
[13616-37-0]C5H8N4O2
Ethyl 1H-tetrazole-5-acetate
-
[1823783-63-6]C6H8ClN3O2
Ethyl 2-(3-chloro-1H-1,2,4-triazol-1-yl)acetate
-
[1823462-45-8]C8H12ClN3O2
Ethyl 2-(3-chloro-1H-1,2,4-triazol-1-yl)butanoate
-
[1823967-22-1]C7H10ClN3O2
Ethyl 2-(3-chloro-1H-1,2,4-triazol-1-yl)propanoate
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS