Home Halogens 3-Pyridinecarboxylicacid, 6-chloro-, phenylmethyl ester

3-Pyridinecarboxylicacid, 6-chloro-, phenylmethyl ester

CAS No.:
1067902-28-6
Catalog Number:
AG007U05
Molecular Formula:
C13H10ClNO2
Molecular Weight:
247.6770
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Product Description
Catalog Number:
AG007U05
Chemical Name:
3-Pyridinecarboxylicacid, 6-chloro-, phenylmethyl ester
CAS Number:
1067902-28-6
Molecular Formula:
C13H10ClNO2
Molecular Weight:
247.6770
MDL Number:
MFCD11045600
IUPAC Name:
benzyl 6-chloropyridine-3-carboxylate
InChI:
InChI=1S/C13H10ClNO2/c14-12-7-6-11(8-15-12)13(16)17-9-10-4-2-1-3-5-10/h1-8H,9H2
InChI Key:
MEXMCDINMYSBTD-UHFFFAOYSA-N
SMILES:
Clc1ccc(cn1)C(=O)OCc1ccccc1
Properties
Complexity:
254  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.04g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.678g/mol
Monoisotopic Mass:
247.04g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties