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81249-44-7 | 2-phenoxypyridine-4-carbonitrile
CAS No: 81249-44-7 Catalog No: AG019MRM MDL No:MFCD09943852
Product Description
Catalog Number:
AG019MRM
Chemical Name:
2-phenoxypyridine-4-carbonitrile
CAS Number:
81249-44-7
Molecular Formula:
C12H8N2O
Molecular Weight:
196.2047
MDL Number:
MFCD09943852
IUPAC Name:
2-phenoxypyridine-4-carbonitrile
InChI:
InChI=1S/C12H8N2O/c13-9-10-6-7-14-12(8-10)15-11-4-2-1-3-5-11/h1-8H
InChI Key:
CRIVCEBEXJZQRH-UHFFFAOYSA-N
SMILES:
N#Cc1ccnc(c1)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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