Home Halogens Pentanoic acid, 5-chloro-, 1,1-dimethylethyl ester

Pentanoic acid, 5-chloro-, 1,1-dimethylethyl ester

CAS No.:
105566-71-0
Catalog Number:
AG0084K6
Molecular Formula:
C9H17ClO2
Molecular Weight:
192.6831
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Product Description
Catalog Number:
AG0084K6
Chemical Name:
Pentanoic acid, 5-chloro-, 1,1-dimethylethyl ester
CAS Number:
105566-71-0
Molecular Formula:
C9H17ClO2
Molecular Weight:
192.6831
MDL Number:
MFCD21117443
IUPAC Name:
tert-butyl 5-chloropentanoate
InChI:
InChI=1S/C9H17ClO2/c1-9(2,3)12-8(11)6-4-5-7-10/h4-7H2,1-3H3
InChI Key:
YCUQZCRPSSEQGE-UHFFFAOYSA-N
SMILES:
ClCCCCC(=O)OC(C)(C)C
Properties
Complexity:
138  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.092g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.683g/mol
Monoisotopic Mass:
192.092g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties