2-Chloro-4-fluoro-5-nitrobenzoic Acid - CAS 114776-15-7
Catalog: |
BB003431 |
Product Name: |
2-Chloro-4-fluoro-5-nitrobenzoic Acid |
CAS: |
114776-15-7 |
Synonyms: |
2-chloro-4-fluoro-5-nitrobenzoic acid; 2-chloro-4-fluoro-5-nitrobenzoic acid |
IUPAC Name: | 2-chloro-4-fluoro-5-nitrobenzoic acid |
Description: | 2-Chloro-4-fluoro-5-nitrobenzoic Acid (CAS# 114776-15-7) is an intermediate in the synthesis of Albaconazole (A511450), an antigfungal agent as neuroprotectant. |
Molecular Weight: | 219.55 |
Molecular Formula: | C7H3ClFNO4 |
Canonical SMILES: | C1=C(C(=CC(=C1[N+](=O)[O-])F)Cl)C(=O)O |
InChI: | InChI=1S/C7H3ClFNO4/c8-4-2-5(9)6(10(13)14)1-3(4)7(11)12/h1-2H,(H,11,12) |
InChI Key: | SYZKAFCPWNFONG-UHFFFAOYSA-N |
Boiling Point: | 364.2 °C at 760 mmHg |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD04115715 |
LogP: | 2.60870 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112939922-A | Synthesis method of 1-cyano-6-methylsulfonyl-7-nitro-9H-xanthene-9-ketone | 20210121 |
WO-2021130731-A1 | Substituted tricyclic compounds | 20191227 |
EP-3587396-A1 | A method of isolating a n-(3-nitrobenzoyl)sulfamide | 20180627 |
CN-109467509-B | Preparation method of substituted nitrobenzene compounds | 20170908 |
WO-2018141642-A1 | Process for the preparation of 2-chloro-4-fluoro-5-nitrobenzotrichloride | 20170206 |
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: | 83.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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