3-Amino-6-bromo-2-(trifluoromethyl)benzonitrile - CAS 1805250-35-4
Catalog: |
BB075036 |
Product Name: |
3-Amino-6-bromo-2-(trifluoromethyl)benzonitrile |
CAS: |
1805250-35-4 |
Synonyms: |
3-Amino-6-bromo-2-(trifluoromethyl)benzonitrile; 4-Bromo-3-cyano-2-(trifluoromethyl)aniline |
IUPAC Name: | 3-amino-6-bromo-2-(trifluoromethyl)benzonitrile |
Description: | 3-Amino-6-bromo-2-(trifluoromethyl)benzonitrile |
Molecular Weight: | 265.03 |
Molecular Formula: | C8H4BrF3N2 |
Canonical SMILES: | C1=CC(=C(C(=C1N)C(F)(F)F)C#N)Br |
InChI: | InChI=1S/C8H4BrF3N2/c9-5-1-2-6(14)7(4(5)3-13)8(10,11)12/h1-2H,14H2 |
InChI Key: | XTQNCDURNQDQJN-UHFFFAOYSA-N |
Complexity: | 257 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 263.951 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 263.951 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 49.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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