2-(3-Bromophenyl)-3-oxobutanenitrile - CAS 30118-02-6
Catalog: |
BB071289 |
Product Name: |
2-(3-Bromophenyl)-3-oxobutanenitrile |
CAS: |
30118-02-6 |
Synonyms: |
2-(3-bromophenyl)-3-oxobutanenitrile |
IUPAC Name: | 2-(3-bromophenyl)-3-oxobutanenitrile |
Description: | 2-(3-Bromophenyl)-3-oxobutanenitrile |
Molecular Weight: | 238.08 |
Molecular Formula: | C10H8BrNO |
Canonical SMILES: | CC(=O)C(C#N)C1=CC(=CC=C1)Br |
InChI: | InChI=1S/C10H8BrNO/c1-7(13)10(6-12)8-3-2-4-9(11)5-8/h2-5,10H,1H3 |
InChI Key: | YNSRFDBOLZEERT-UHFFFAOYSA-N |
Complexity: | 243 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 236.97893 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 236.97893 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 40.9Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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