3-(5-Chloro-1H-1,2,4-triazol-1-yl)propanoic acid - CAS 1554660-78-4
Catalog: |
BB050781 |
Product Name: |
3-(5-Chloro-1H-1,2,4-triazol-1-yl)propanoic acid |
CAS: |
1554660-78-4 |
Synonyms: |
1H-1,2,4-Triazole-1-propanoic acid, 5-chloro-; 3-(5-Chloro-[1,2,4]triazol-1-yl)-propionic acid |
IUPAC Name: | 3-(5-chloro-1,2,4-triazol-1-yl)propanoic acid |
Molecular Weight: | 175.57 |
Molecular Formula: | C5H6ClN3O2 |
Canonical SMILES: | C1=NN(C(=N1)Cl)CCC(=O)O |
InChI: | InChI=1S/C5H6ClN3O2/c6-5-7-3-8-9(5)2-1-4(10)11/h3H,1-2H2,(H,10,11) |
InChI Key: | GCVFRRHZRBEEJT-UHFFFAOYSA-N |
Boiling Point: | 421.0±47.0°C at 760 mmHg |
Purity: | ≥95% |
Density: | 1.6±0.1 g/cm3 |
Complexity: | 155 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 175.0148541 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 175.0148541 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 68 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
-
Catalog: BB013491
3,5-Dibromo-1-(methoxymethyl)-1H-1,2,4-triazole
Detail
-
Catalog: BB008309
Ethyl 1H-tetrazole-5-acetate
Detail
-
Catalog: BB010432
1-methyl-1H-1,2,3-triazole-5-sulfonyl chloride
Detail
-
Catalog: BB013950
2-[2-(propan-2-yl)-2H-1,2,3-triazol-4-yl]acetic acid
Detail
-
Catalog: BB005033
5-Bromo-3-(methoxymethyl)-1H-1,2,4-triazole
Detail
-
Catalog: BB016679
5-(5-Bromo-2-thienyl)-1H-tetrazole solution
Detail
-
Catalog: BB015548
1-(5-Bromopentyl)-1,2,3-triazole
Detail
-
Catalog: BB010533
3-(Biphenyl-4-yl)-5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazole
Detail
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Halides
Triazole/Tetrazole
-
[1243250-13-6]
Ethyl (3-bromo-1H-1,2,4-triazol-1-yl)acetate
-
[13616-37-0]
Ethyl 1H-tetrazole-5-acetate
-
[91616-41-0]
ethyl 1-methyl-1H-1,2,3,4-tetrazole-5-carboxylate
-
[1823462-45-8]
Ethyl 2-(3-chloro-1H-1,2,4-triazol-1-yl)butanoate
-
[1823967-22-1]
Ethyl 2-(3-chloro-1H-1,2,4-triazol-1-yl)propanoate
-
[1823829-53-3]
Ethyl 2-(5-chloro-1H-1,2,4-triazol-1-yl)propanoate
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS