(1-Bromocyclohexyl)phenylmethanone - CAS 7500-66-5
Catalog: |
BB074097 |
Product Name: |
(1-Bromocyclohexyl)phenylmethanone |
CAS: |
7500-66-5 |
Synonyms: |
(1-Bromocyclohex-1-yl)phenylketone;1-Bromocyclohexyl Phenyl Ketone |
IUPAC Name: | (1-bromocyclohexyl)-phenylmethanone |
Description: | (1-Bromocyclohexyl)phenylmethanone is an intermediate in the synthesis of 1-Cyclohexenyl Phenyl Ketone (C992550), a useful reactant in the synthesis of cyclopentanone enol ethers. |
Molecular Weight: | 267.16 |
Molecular Formula: | C13H15BrO |
Canonical SMILES: | C1CCC(CC1)(C(=O)C2=CC=CC=C2)Br |
InChI: | InChI=1S/C13H15BrO/c14-13(9-5-2-6-10-13)12(15)11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2 |
InChI Key: | PCGUFFXUXWUSJJ-UHFFFAOYSA-N |
GHS Hazard Statement: | H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P264+P265, P280, P305+P351+P338, and P337+P317 |
Signal Word: | Warning |
Complexity: | 225 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 266.03063 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 266.03063 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 17.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4 |
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