2-(4,4-Difluorocyclohexyl)acetic Acid - CAS 915030-40-9
Catalog: |
BB040219 |
Product Name: |
2-(4,4-Difluorocyclohexyl)acetic Acid |
CAS: |
915030-40-9 |
Synonyms: |
2-(4,4-difluorocyclohexyl)acetic acid; 2-(4,4-difluorocyclohexyl)acetic acid |
IUPAC Name: | 2-(4,4-difluorocyclohexyl)acetic acid |
Description: | 2-(4,4-Difluorocyclohexyl)acetic Acid (CAS# 915030-40-9) is a useful research chemical. |
Molecular Weight: | 178.18 |
Molecular Formula: | C8H12F2O2 |
Canonical SMILES: | C1CC(CCC1CC(=O)O)(F)F |
InChI: | InChI=1S/C8H12F2O2/c9-8(10)3-1-6(2-4-8)5-7(11)12/h6H,1-5H2,(H,11,12) |
InChI Key: | MQIZLGQPDADKKW-UHFFFAOYSA-N |
MDL: | MFCD11042913 |
LogP: | 2.28660 |
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-2020146194-A1 | Imidazo[1,2-b]pyridazine il-17a inhibitors | 20190107 |
TW-201940462-A | Compound | 20180126 |
CN-111683926-A | Compound (I) | 20180126 |
US-2020361871-A1 | Compounds | 20180126 |
US-2020383988-A1 | Compounds | 20180126 |
Complexity: | 170 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 178.08053595 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 178.08053595 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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