alpha,alpha-Difluoro-1-naphthaleneacetic Acid - CAS 73790-14-4
Catalog: |
BB034924 |
Product Name: |
alpha,alpha-Difluoro-1-naphthaleneacetic Acid |
CAS: |
73790-14-4 |
Synonyms: |
2,2-difluoro-2-(1-naphthalenyl)acetic acid; 2,2-difluoro-2-naphthalen-1-ylacetic acid |
IUPAC Name: | 2,2-difluoro-2-naphthalen-1-ylacetic acid |
Description: | alpha,alpha-Difluoro-1-naphthaleneacetic Acid (CAS# 73790-14-4 ) is a useful research chemical. |
Molecular Weight: | 222.19 |
Molecular Formula: | C12H8F2O2 |
Canonical SMILES: | C1=CC=C2C(=C1)C=CC=C2C(C(=O)O)(F)F |
InChI: | InChI=1S/C12H8F2O2/c13-12(14,11(15)16)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H,15,16) |
InChI Key: | TXILYIHFGBMXDH-UHFFFAOYSA-N |
LogP: | 3.01620 |
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 |
WO-2020048829-A1 | 3,9-diazaspiro[5.5]undecane compounds | 20180903 |
TW-202024083-A | 3,9-diazaspiro[5.5]undecane compounds | 20180903 |
US-6034266-A | Gem-difluoro derivative of phenylacetamide and phenylacetic acid and their pharmaceutical uses | 19960311 |
Complexity: | 278 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 222.04923582 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 222.04923582 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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