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232951-83-6 | 3-Pyridinecarboxylic acid, 2-chloro-, 1,1-dimethylethyl ester
CAS No: 232951-83-6 Catalog No: AG002MSS MDL No:MFCD18434485
Product Description
Catalog Number:
AG002MSS
Chemical Name:
3-Pyridinecarboxylic acid, 2-chloro-, 1,1-dimethylethyl ester
CAS Number:
232951-83-6
Molecular Formula:
C10H12ClNO2
Molecular Weight:
213.6608
MDL Number:
MFCD18434485
IUPAC Name:
tert-butyl 2-chloropyridine-3-carboxylate
InChI:
InChI=1S/C10H12ClNO2/c1-10(2,3)14-9(13)7-5-4-6-12-8(7)11/h4-6H,1-3H3
InChI Key:
BKRYJISKTILWAE-UHFFFAOYSA-N
SMILES:
O=C(c1cccnc1Cl)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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