Home Halogens 1-chloro-4-cyclopropyl-4-methylpentan-2-one

1-chloro-4-cyclopropyl-4-methylpentan-2-one

CAS No.:
1820687-52-2
Catalog Number:
AG01AN3U
Molecular Formula:
C9H15ClO
Molecular Weight:
174.6678
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Product Description
Catalog Number:
AG01AN3U
Chemical Name:
1-chloro-4-cyclopropyl-4-methylpentan-2-one
CAS Number:
1820687-52-2
Molecular Formula:
C9H15ClO
Molecular Weight:
174.6678
MDL Number:
MFCD29034137
IUPAC Name:
1-chloro-4-cyclopropyl-4-methylpentan-2-one
InChI:
InChI=1S/C9H15ClO/c1-9(2,7-3-4-7)5-8(11)6-10/h7H,3-6H2,1-2H3
InChI Key:
QAJOQTNHZLDRJP-UHFFFAOYSA-N
SMILES:
ClCC(=O)CC(C1CC1)(C)C
Properties
Complexity:
159  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.081g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.668g/mol
Monoisotopic Mass:
174.081g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties