2-Bromo-3-phenylpropanenitrile - CAS 62448-27-5
Catalog: |
BB071271 |
Product Name: |
2-Bromo-3-phenylpropanenitrile |
CAS: |
62448-27-5 |
Synonyms: |
2-bromo-3-phenylpropanenitrile; 2-bromo-3-phenyl-propionitrile; 3-phenyl-2-bromopropionitrile |
IUPAC Name: | 2-bromo-3-phenylpropanenitrile |
Molecular Weight: | 210.07 |
Molecular Formula: | C9H8BrN |
Canonical SMILES: | C1=CC=C(C=C1)CC(C#N)Br |
InChI: | InChI=1S/C9H8BrN/c10-9(7-11)6-8-4-2-1-3-5-8/h1-5,9H,6H2 |
InChI Key: | ZCCNNBFUMWEZGE-UHFFFAOYSA-N |
Complexity: | 152 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 208.98401 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 208.98401 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 23.8Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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