Home Halogens methyl 2-chloro-4,4-dimethylpentanoate

methyl 2-chloro-4,4-dimethylpentanoate

CAS No.:
1342278-04-9
Catalog Number:
AG01A617
Molecular Formula:
C8H15ClO2
Molecular Weight:
178.6565
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Product Description
Catalog Number:
AG01A617
Chemical Name:
methyl 2-chloro-4,4-dimethylpentanoate
CAS Number:
1342278-04-9
Molecular Formula:
C8H15ClO2
Molecular Weight:
178.6565
MDL Number:
MFCD17254567
IUPAC Name:
methyl 2-chloro-4,4-dimethylpentanoate
InChI:
InChI=1S/C8H15ClO2/c1-8(2,3)5-6(9)7(10)11-4/h6H,5H2,1-4H3
InChI Key:
VAJZLHNGDFOSGE-UHFFFAOYSA-N
SMILES:
COC(=O)C(CC(C)(C)C)Cl
Properties
Complexity:
138  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.076g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.656g/mol
Monoisotopic Mass:
178.076g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties