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1215561-47-9 | 3,4-Dichloropyridine methanesulfonate
CAS No: 1215561-47-9 Catalog No: AG01FCZ2 MDL No:
Product Description
Catalog Number:
AG01FCZ2
Chemical Name:
3,4-Dichloropyridine methanesulfonate
CAS Number:
1215561-47-9
Molecular Formula:
C6H7Cl2NO3S
Molecular Weight:
244.0957
IUPAC Name:
3,4-dichloropyridine;methanesulfonic acid
InChI:
InChI=1S/C5H3Cl2N.CH4O3S/c6-4-1-2-8-3-5(4)7;1-5(2,3)4/h1-3H;1H3,(H,2,3,4)
InChI Key:
SHWUIJYURVCWAI-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)O.Clc1cnccc1Cl
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.952g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.086g/mol
Monoisotopic Mass:
242.952g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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