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Chloromethyl 2-ethylbutyrate

CAS No.:
40930-71-0
Catalog Number:
AG0039ZJ
Molecular Formula:
C7H13ClO2
Molecular Weight:
164.6299
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Product Description
Catalog Number:
AG0039ZJ
Chemical Name:
Chloromethyl 2-ethylbutyrate
CAS Number:
40930-71-0
Molecular Formula:
C7H13ClO2
Molecular Weight:
164.6299
MDL Number:
MFCD19232744
IUPAC Name:
chloromethyl 2-ethylbutanoate
InChI:
InChI=1S/C7H13ClO2/c1-3-6(4-2)7(9)10-5-8/h6H,3-5H2,1-2H3
InChI Key:
AAACXXOAKLEEOX-UHFFFAOYSA-N
SMILES:
ClCOC(=O)C(CC)CC
Properties
Complexity:
99.8  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.06g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.629g/mol
Monoisotopic Mass:
164.06g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties