3-Bromo-4-(trifluoromethyl)benzaldehyde - CAS 372120-55-3
Catalog: |
BB071512 |
Product Name: |
3-Bromo-4-(trifluoromethyl)benzaldehyde |
CAS: |
372120-55-3 |
Synonyms: |
3-Bromo-4-(trifluoromethyl)benzaldehyde |
IUPAC Name: | 3-bromo-4-(trifluoromethyl)benzaldehyde |
Description: | 3-Bromo-4-(trifluoromethyl)benzaldehyde |
Molecular Weight: | 253.02 |
Molecular Formula: | C8H4BrF3O |
Canonical SMILES: | C1=CC(=C(C=C1C=O)Br)C(F)(F)F |
InChI: | InChI=1S/C8H4BrF3O/c9-7-3-5(4-13)1-2-6(7)8(10,11)12/h1-4H |
InChI Key: | MWYYNBYTVFKXSD-UHFFFAOYSA-N |
Complexity: | 192 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 251.93976 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 251.93976 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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