2-[(4,4,5,5,6,6,7,7,7-Nonafluoro-1,1-dimethylheptyloxy)carbonyloxyimino]-2-phenylacetonitrile - CAS 892154-46-0
Catalog: |
BB039375 |
Product Name: |
2-[(4,4,5,5,6,6,7,7,7-Nonafluoro-1,1-dimethylheptyloxy)carbonyloxyimino]-2-phenylacetonitrile |
CAS: |
892154-46-0 |
Synonyms: |
[[cyano(phenyl)methylidene]amino] (5,5,6,6,7,7,8,8,8-nonafluoro-2-methyloctan-2-yl) carbonate |
IUPAC Name: | [[cyano(phenyl)methylidene]amino] (5,5,6,6,7,7,8,8,8-nonafluoro-2-methyloctan-2-yl) carbonate |
Description: | 2-[(4,4,5,5,6,6,7,7,7-Nonafluoro-1,1-dimethylheptyloxy)carbonyloxyimino]-2-phenylacetonitrile (CAS# 892154-46-0 ) is a useful research chemical. |
Molecular Weight: | 478.31 |
Molecular Formula: | C18H15F9N2O3 |
Canonical SMILES: | CC(C)(CCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)OC(=O)ON=C(C#N)C1=CC=CC=C1 |
InChI: | InChI=1S/C18H15F9N2O3/c1-14(2,8-9-15(19,20)16(21,22)17(23,24)18(25,26)27)31-13(30)32-29-12(10-28)11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3 |
InChI Key: | UVLBAEYPKCVCLV-UHFFFAOYSA-N |
LogP: | 6.09448 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 |
Signal Word: | Warning |
Complexity: | 749 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 478.0938958 |
Formal Charge: | 0 |
Heavy Atom Count: | 32 |
Hydrogen Bond Acceptor Count: | 14 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 478.0938958 |
Rotatable Bond Count: | 10 |
Topological Polar Surface Area: | 71.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 1 |
XLogP3: | 6.7 |
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