4-Chlorobutyrophenone
PubChem CID: 253533
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| Compound Synonyms | 4-Chlorobutyrophenone, 939-52-6, 4-chloro-1-phenylbutan-1-one, gamma-Chlorobutyrophenone, 4-chloro-1-oxo-1-phenylbutane, MFCD00001005, .gamma.-Chlorobutyrophenone, 4-Chloro-1-phenyl-1-butanone, 1-Butanone, 4-chloro-1-phenyl-, .omega.-Chlorobutyrophenone, NSC 76579, 1-Butanone,4-chloro-1-phenyl-, NSC76579, Chlorpropylphenylketon, 4-chlorobutyrylbenzene, 4-chlorobutyro-phenone, 3-benzoylpropyl chloride, omega-Chlorobutyrophenone, QR9PK9JWG3, 3-Chloropropyl phenyl ketone, 4-chloro-1-phenylbutan-1one, 4chloro-1-phenylbutan-1-one, SCHEMBL318784, 1-chloro-4-phenylbutan-4-one, 1-phenyl-4-chlorobutan-1-one, 1-phenyl-4-chloro-butan-1-one, DTXSID10917236, 4-Chloro-1-phenyl-1-butanone #, NSC-76579, 4-Chlorobutyrophenone, technical grade, AKOS000120406, AS-57605, SY274770, EN300-20277, E75834, Q63393283, Z104477558, 213-362-1 |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 139.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-chloro-1-phenylbutan-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.5 |
| Molecular Formula | C10H11ClO |
| Prediction Swissadme | 0.0 |
| Inchi Key | GHEFQKHLHFXSBR-UHFFFAOYSA-N |
| Fcsp3 | 0.3 |
| Logs | -3.007 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.378 |
| Compound Name | 4-Chlorobutyrophenone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 182.05 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 182.05 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 182.64 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.8550299999999993 |
| Inchi | InChI=1S/C10H11ClO/c11-8-4-7-10(12)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2 |
| Smiles | C1=CC=C(C=C1)C(=O)CCCCl |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Syzygium Aromaticum (Plant) Rel Props:Source_db:cmaup_ingredients