Home Halogens tert-butyl 2-(2-chloropyridin-3-yl)acetate

tert-butyl 2-(2-chloropyridin-3-yl)acetate

CAS No.:
1260675-31-7
Catalog Number:
AG01B2HD
Molecular Formula:
C11H14ClNO2
Molecular Weight:
227.6874
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Product Description
Catalog Number:
AG01B2HD
Chemical Name:
tert-butyl 2-(2-chloropyridin-3-yl)acetate
CAS Number:
1260675-31-7
Molecular Formula:
C11H14ClNO2
Molecular Weight:
227.6874
MDL Number:
MFCD16036403
IUPAC Name:
tert-butyl 2-(2-chloropyridin-3-yl)acetate
InChI:
InChI=1S/C11H14ClNO2/c1-11(2,3)15-9(14)7-8-5-4-6-13-10(8)12/h4-6H,7H2,1-3H3
InChI Key:
JCLLWIAONURJSH-UHFFFAOYSA-N
SMILES:
O=C(Cc1cccnc1Cl)OC(C)(C)C
Properties
Complexity:
225  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.071g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.688g/mol
Monoisotopic Mass:
227.071g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties