4-(Difluoromethoxy)-1H-indole-2-carboxylic Acid Hydrochloride - CAS 885524-95-8
Catalog: |
BB066545 |
Product Name: |
4-(Difluoromethoxy)-1H-indole-2-carboxylic Acid Hydrochloride |
CAS: |
885524-95-8 |
Synonyms: |
4-(Difluoromethoxy)indole-2-carboxylic Acid Hydrochloride |
IUPAC Name: | 4-(difluoromethoxy)-1H-indole-2-carboxylic acid |
Description: | 4-(Difluoromethoxy)-1H-indole-2-carboxylic Acid Hydrochloride(cas# 885524-95-8) is a useful research chemical for organic synthesis and other chemical processes. |
Molecular Weight: | 227.16 + (36.46) |
Molecular Formula: | C10H7NO3F2·HCl |
Canonical SMILES: | C1=CC2=C(C=C(N2)C(=O)O)C(=C1)OC(F)F |
InChI: | InChI=1S/C10H7F2NO3/c11-10(12)16-8-3-1-2-6-5(8)4-7(13-6)9(14)15/h1-4,10,13H,(H,14,15) |
InChI Key: | XGOYZKXAIYPMPZ-UHFFFAOYSA-N |
Melting Point: | >207°C |
Solubility: | Benzene (Slightly, Heated), DMSO (Slightly), Methanol (Slightly) |
Appearance: | Pale Beige to Light Beige Solid |
Storage: | -20°C Freezer, Under inert atmosphere |
References: | Fu, J., et al. From PCT Int. Appl. (2018), WO 2018073753 A1 20180426. |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 275 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 227.03939941 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 227.03939941 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 62.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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