2-(4-Amino-2,6-dibromophenoxy)acetonitrile - CAS 1094566-60-5
Catalog: |
BB075014 |
Product Name: |
2-(4-Amino-2,6-dibromophenoxy)acetonitrile |
CAS: |
1094566-60-5 |
Synonyms: |
2-(4-amino-2,6-dibromophenoxy)acetonitrile |
IUPAC Name: | 2-(4-amino-2,6-dibromophenoxy)acetonitrile |
Molecular Weight: | 305.95 |
Molecular Formula: | C8H6Br2N2O |
Canonical SMILES: | C1=C(C=C(C(=C1Br)OCC#N)Br)N |
InChI: | InChI=1S/C8H6Br2N2O/c9-6-3-5(12)4-7(10)8(6)13-2-1-11/h3-4H,2,12H2 |
InChI Key: | PTEBPFGSEUOCCE-UHFFFAOYSA-N |
Complexity: | 203 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 305.88264 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 303.88469 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 59Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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