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Home > Bromides > 1266119-17-8
1266119-17-8 | 2-Pyridineacetic acid, 6-bromo-, 1,1-dimethylethyl ester
CAS No: 1266119-17-8 Catalog No: AG000SZW MDL No:
Product Description
Catalog Number:
AG000SZW
Chemical Name:
2-Pyridineacetic acid, 6-bromo-, 1,1-dimethylethyl ester
CAS Number:
1266119-17-8
Molecular Formula:
C11H14BrNO2
Molecular Weight:
272.1384
IUPAC Name:
tert-butyl 2-(6-bromopyridin-2-yl)acetate
InChI:
InChI=1S/C11H14BrNO2/c1-11(2,3)15-10(14)7-8-5-4-6-9(12)13-8/h4-6H,7H2,1-3H3
InChI Key:
QTBDTZFTCNZTIS-UHFFFAOYSA-N
SMILES:
O=C(Cc1cccc(n1)Br)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:
271.021g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.142g/mol
Monoisotopic Mass:
271.021g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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