4-Bromocyclohexanone - CAS 22460-52-2
Catalog: |
BB072258 |
Product Name: |
4-Bromocyclohexanone |
CAS: |
22460-52-2 |
Synonyms: |
4-Bromocyclohexanone; 4-bromocyclohexan-1-one; Cyclohexanone, 4-bromo-; mono-bromocyclohexanone; Cyclohexanone,4-bromo- |
IUPAC Name: | 4-bromocyclohexan-1-one |
Molecular Weight: | 177.04 |
Molecular Formula: | C6H9BrO |
Canonical SMILES: | C1CC(=O)CCC1Br |
InChI: | InChI=1S/C6H9BrO/c7-5-1-3-6(8)4-2-5/h5H,1-4H2 |
InChI Key: | OMCGWSBEIHGWOH-UHFFFAOYSA-N |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P313, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 90.7 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 175.98368 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 175.98368 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 17.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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