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142714-79-2 | 1-Isoquinolinecarbonitrile, 1,2-dihydro-2-phenoxy-
CAS No: 142714-79-2 Catalog No: AG007KRR MDL No:
Product Description
Catalog Number:
AG007KRR
Chemical Name:
1-Isoquinolinecarbonitrile, 1,2-dihydro-2-phenoxy-
CAS Number:
142714-79-2
Molecular Formula:
C16H12N2O
Molecular Weight:
248.2793
IUPAC Name:
2-phenoxy-1H-isoquinoline-1-carbonitrile
InChI:
InChI=1S/C16H12N2O/c17-12-16-15-9-5-4-6-13(15)10-11-18(16)19-14-7-2-1-3-8-14/h1-11,16H
InChI Key:
AFEUONPNKVXQLR-UHFFFAOYSA-N
SMILES:
N#CC1N(C=Cc2c1cccc2)Oc1ccccc1
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.095g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.285g/mol
Monoisotopic Mass:
248.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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