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52023-93-5

52023-93-5 | 5-isothiocyanato-2-methoxypyridine

CAS No: 52023-93-5 Catalog No: AG01A9Q7 MDL No:MFCD11131118

Product Description

Catalog Number:
AG01A9Q7
Chemical Name:
5-isothiocyanato-2-methoxypyridine
CAS Number:
52023-93-5
Molecular Formula:
C7H6N2OS
Molecular Weight:
166.2003
MDL Number:
MFCD11131118
IUPAC Name:
5-isothiocyanato-2-methoxypyridine
InChI:
InChI=1S/C7H6N2OS/c1-10-7-3-2-6(4-8-7)9-5-11/h2-4H,1H3
InChI Key:
PQZYHGMASSLVAI-UHFFFAOYSA-N
SMILES:
S=C=Nc1ccc(nc1)OC

Properties

Complexity:
168  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.02g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.198g/mol
Monoisotopic Mass:
166.02g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  

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