3-Methyl-5-(trifluoromethyl)benzaldehyde - CAS 116070-39-4
Catalog: |
BB076167 |
Product Name: |
3-Methyl-5-(trifluoromethyl)benzaldehyde |
CAS: |
116070-39-4 |
Synonyms: |
3-Methyl-5-(trifluoromethyl)benzaldehyde; 3-Trifluoromethyl-5-methylbenzaldehyde |
IUPAC Name: | 3-methyl-5-(trifluoromethyl)benzaldehyde |
Description: | 3-Methyl-5-(trifluoromethyl)benzaldehyde |
Molecular Weight: | 188.15 |
Molecular Formula: | C9H7F3O |
Canonical SMILES: | CC1=CC(=CC(=C1)C(F)(F)F)C=O |
InChI: | InChI=1S/C9H7F3O/c1-6-2-7(5-13)4-8(3-6)9(10,11)12/h2-5H,1H3 |
InChI Key: | KFRRYUVXFZQWGS-UHFFFAOYSA-N |
Complexity: | 188 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 188.04489933 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 188.04489933 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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