Home Halogens 3-Pentanone, 2-chloro-

3-Pentanone, 2-chloro-

CAS No.:
17042-21-6
Catalog Number:
AG007UDH
Molecular Formula:
C5H9ClO
Molecular Weight:
120.5774
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Product Description
Catalog Number:
AG007UDH
Chemical Name:
3-Pentanone, 2-chloro-
CAS Number:
17042-21-6
Molecular Formula:
C5H9ClO
Molecular Weight:
120.5774
MDL Number:
MFCD00155432
IUPAC Name:
2-chloropentan-3-one
InChI:
InChI=1S/C5H9ClO/c1-3-5(7)4(2)6/h4H,3H2,1-2H3
InChI Key:
ABCRJWMADDBQFJ-UHFFFAOYSA-N
SMILES:
CCC(=O)C(Cl)C
Properties
Complexity:
70.5  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
120.034g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
120.576g/mol
Monoisotopic Mass:
120.034g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Literature
Title Journal
Products and mechanism of the reaction of chlorine atoms with 3-pentanone in 700-950 torr of N(2)/O(2) diluent at 297-515 K. The journal of physical chemistry. A 20100114
Properties