4-Chloro-5-fluoro-2-nitrobenzoic Acid - CAS 129951-45-7
Catalog: |
BB070085 |
Product Name: |
4-Chloro-5-fluoro-2-nitrobenzoic Acid |
CAS: |
129951-45-7 |
Synonyms: |
4-chloro-5-fluoro-2-nitrobenzoic acid; Benzoic acid, 4-chloro-5-fluoro-2-nitro-; 4-chloro-5-fluoro-2-nitrobenzoicacid |
IUPAC Name: | 4-chloro-5-fluoro-2-nitrobenzoic acid |
Description: | 4-Chloro-5-fluoro-2-nitrobenzoic Acid is an intermediate in the synthesis of Albaconazole (H761395), an antifungal agent as neuroprotectant. |
Molecular Weight: | 219.55 |
Molecular Formula: | C7H3ClFNO4 |
Canonical SMILES: | C1=C(C(=CC(=C1F)Cl)[N+](=O)[O-])C(=O)O |
InChI: | InChI=1S/C7H3ClFNO4/c8-4-2-6(10(13)14)3(7(11)12)1-5(4)9/h1-2H,(H,11,12) |
InChI Key: | GGTQVIUWLUDQKR-UHFFFAOYSA-N |
Melting Point: | No data available |
Solubility: | DCM, Ethyl Acetate, Methanol |
Appearance: | Off-White Solid |
Complexity: | 257 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 218.9734634 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 218.9734634 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 83.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
-
Catalog: BB067784
((1R,2R)-2-(2,3-Dihydrobenzofuran-4-yl)cyclopropyl)methanamine
Detail
-
Catalog: BB069927
((2R,4S)-2-(Chloromethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methyl 4-Methylbenzenesulfonate
Detail
-
Catalog: BB069924
((2S,4S)-2-(Chloromethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methyl 4-Methylbenzenesulfonate
Detail
-
Catalog: BB074213
((2R,3S,4R,5R,6R)-5-Acetamido-3,4-dihydroxy-6-(2-(trimethylsilyl)ethoxy)tetrahydro-2H-pyran-2-yl)methyl 4-Methylbenzenesulfonate
Detail
-
Catalog: BB055105
((2R,5S,10aS,10bS)-5-Benzyl-8,10b-bis(benzyloxy)-2-methyl-3,6-dioxooctahydro-2H-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl)carbamic Acid Benzyl Ester
Detail
-
Catalog: BB069926
((2R,4R)-2-(Chloromethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methyl 4-Methylbenzenesulfonate
Detail
-
Catalog: BB074488
((1R,3R)-3-Amino-cyclopentyl)-carbamic Acid tert-Butyl Ester
Detail
-
Catalog: BB069173
((1-Chloro-2-methylpropan-2-yl)oxy)trimethylsilane
Detail
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Other Building Blocks
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS