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115309-57-4 | 3-Pyridinecarboxylic acid, 6-chloro-, 1,1-dimethylethyl ester
CAS No: 115309-57-4 Catalog No: AG000GL2 MDL No:MFCD08277247
Product Description
Catalog Number:
AG000GL2
Chemical Name:
3-Pyridinecarboxylic acid, 6-chloro-, 1,1-dimethylethyl ester
CAS Number:
115309-57-4
Molecular Formula:
C10H12ClNO2
Molecular Weight:
213.6608
MDL Number:
MFCD08277247
IUPAC Name:
tert-butyl 6-chloropyridine-3-carboxylate
InChI:
InChI=1S/C10H12ClNO2/c1-10(2,3)14-9(13)7-4-5-8(11)12-6-7/h4-6H,1-3H3
InChI Key:
OFRLMTIBUAXBGV-UHFFFAOYSA-N
SMILES:
Clc1ccc(cn1)C(=O)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:
2.7
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