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20845-80-1 | 2-Butanone, 1-chloro-4-phenyl-
CAS No: 20845-80-1 Catalog No: AG002JP0 MDL No:MFCD11934982
Product Description
Catalog Number:
AG002JP0
Chemical Name:
2-Butanone, 1-chloro-4-phenyl-
CAS Number:
20845-80-1
Molecular Formula:
C10H11ClO
Molecular Weight:
182.6467
MDL Number:
MFCD11934982
IUPAC Name:
1-chloro-4-phenylbutan-2-one
InChI:
InChI=1S/C10H11ClO/c11-8-10(12)7-6-9-4-2-1-3-5-9/h1-5H,6-8H2
InChI Key:
AUXNFZYATAMYJU-UHFFFAOYSA-N
SMILES:
ClCC(=O)CCc1ccccc1
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.05g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.647g/mol
Monoisotopic Mass:
182.05g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| Mechanical and kinetic effects of shortened tropomyosin reconstituted into myofibrils. | Pflugers Archiv : European journal of physiology 20090801 |
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