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1280786-59-5 | 2-Pyridinecarboxylic acid, 6-chloro-, 1,1-dimethylethyl ester
CAS No: 1280786-59-5 Catalog No: AG000XQP MDL No:MFCD18783199
Product Description
Catalog Number:
AG000XQP
Chemical Name:
2-Pyridinecarboxylic acid, 6-chloro-, 1,1-dimethylethyl ester
CAS Number:
1280786-59-5
Molecular Formula:
C10H12ClNO2
Molecular Weight:
213.6608
MDL Number:
MFCD18783199
IUPAC Name:
tert-butyl 6-chloropyridine-2-carboxylate
InChI:
InChI=1S/C10H12ClNO2/c1-10(2,3)14-9(13)7-5-4-6-8(11)12-7/h4-6H,1-3H3
InChI Key:
DVPHJLOQDYBPAW-UHFFFAOYSA-N
SMILES:
O=C(c1cccc(n1)Cl)OC(C)(C)C
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.056g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.661g/mol
Monoisotopic Mass:
213.056g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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