Home Halogens tert-Butyl 4-chlorobutanoate

tert-Butyl 4-chlorobutanoate

CAS No.:
3153-32-0
Catalog Number:
AG00CIT4
Molecular Formula:
C8H15ClO2
Molecular Weight:
178.6565
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Product Description
Catalog Number:
AG00CIT4
Chemical Name:
tert-Butyl 4-chlorobutanoate
CAS Number:
3153-32-0
Molecular Formula:
C8H15ClO2
Molecular Weight:
178.6565
MDL Number:
MFCD01569943
IUPAC Name:
tert-butyl 4-chlorobutanoate
InChI:
InChI=1S/C8H15ClO2/c1-8(2,3)11-7(10)5-4-6-9/h4-6H2,1-3H3
InChI Key:
CRSVVUBCNZULGK-UHFFFAOYSA-N
SMILES:
ClCCCC(=O)OC(C)(C)C
Properties
Complexity:
127  
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:
5  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties