Home Halogens Tert-Butyl 2-chloroacetate

Tert-Butyl 2-chloroacetate

CAS No.:
107-59-5
Catalog Number:
AG003UJE
Molecular Formula:
C6H11ClO2
Molecular Weight:
150.6033
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Product Description
Catalog Number:
AG003UJE
Chemical Name:
Tert-Butyl 2-chloroacetate
CAS Number:
107-59-5
Molecular Formula:
C6H11ClO2
Molecular Weight:
150.6033
MDL Number:
MFCD00000930
IUPAC Name:
tert-butyl 2-chloroacetate
InChI:
InChI=1S/C6H11ClO2/c1-6(2,3)9-5(8)4-7/h4H2,1-3H3
InChI Key:
KUYMVWXKHQSIAS-UHFFFAOYSA-N
SMILES:
ClCC(=O)OC(C)(C)C
EC Number:
203-506-1
UNII:
05TMW98298
NSC Number:
87891
Properties
Complexity:
104  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.045g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
150.602g/mol
Monoisotopic Mass:
150.045g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Literature
Title Journal
Synthesis of imidazol-1-yl-acetic acid hydrochloride: a key intermediate for zoledronic acid. Beilstein journal of organic chemistry 20080101
Properties