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75580-03-9 | 5-phenoxypyridine-2-carbonitrile
CAS No: 75580-03-9 Catalog No: AG01C53S MDL No:MFCD23664546
Product Description
Catalog Number:
AG01C53S
Chemical Name:
5-phenoxypyridine-2-carbonitrile
CAS Number:
75580-03-9
Molecular Formula:
C12H8N2O
Molecular Weight:
196.2047
MDL Number:
MFCD23664546
IUPAC Name:
5-phenoxypyridine-2-carbonitrile
InChI:
InChI=1S/C12H8N2O/c13-8-10-6-7-12(9-14-10)15-11-4-2-1-3-5-11/h1-7,9H
InChI Key:
UQLUIDMQSVTQBW-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cn1)Oc1ccccc1
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.064g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.209g/mol
Monoisotopic Mass:
196.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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