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52023-94-6 | 3-isothiocyanato-2-methoxypyridine
CAS No: 52023-94-6 Catalog No: AG01EJXH MDL No:MFCD18803414
Product Description
Catalog Number:
AG01EJXH
Chemical Name:
3-isothiocyanato-2-methoxypyridine
CAS Number:
52023-94-6
Molecular Formula:
C7H6N2OS
Molecular Weight:
166.2003
MDL Number:
MFCD18803414
IUPAC Name:
3-isothiocyanato-2-methoxypyridine
InChI:
InChI=1S/C7H6N2OS/c1-10-7-6(9-5-11)3-2-4-8-7/h2-4H,1H3
InChI Key:
XTUAFLZKZLLDNU-UHFFFAOYSA-N
SMILES:
COc1ncccc1N=C=S
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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