3-(4-Bromophenyl)cyclohexanone - CAS 25158-78-5
Catalog: |
BB071992 |
Product Name: |
3-(4-Bromophenyl)cyclohexanone |
CAS: |
25158-78-5 |
Synonyms: |
3-(4-bromophenyl)cyclohexanone; 3-(4-BROMOPHENYL)CYCLOHEXAN-1-ONE |
IUPAC Name: | 3-(4-bromophenyl)cyclohexan-1-one |
Molecular Weight: | 253.14 |
Molecular Formula: | C12H13BrO |
Canonical SMILES: | C1CC(CC(=O)C1)C2=CC=C(C=C2)Br |
InChI: | InChI=1S/C12H13BrO/c13-11-6-4-9(5-7-11)10-2-1-3-12(14)8-10/h4-7,10H,1-3,8H2 |
InChI Key: | OWJFSGNEZCNGJL-UHFFFAOYSA-N |
Complexity: | 206 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 252.01498 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 252.01498 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.1Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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