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Home > Pyridines > 100382-00-1
100382-00-1 | 2-Pyridinecarbonitrile, 4-(phenylmethoxy)-
CAS No: 100382-00-1 Catalog No: AG0001U1 MDL No:MFCD17252689
Product Description
Catalog Number:
AG0001U1
Chemical Name:
2-Pyridinecarbonitrile, 4-(phenylmethoxy)-
CAS Number:
100382-00-1
Molecular Formula:
C13H10N2O
Molecular Weight:
210.2313
MDL Number:
MFCD17252689
IUPAC Name:
4-phenylmethoxypyridine-2-carbonitrile
InChI:
InChI=1S/C13H10N2O/c14-9-12-8-13(6-7-15-12)16-10-11-4-2-1-3-5-11/h1-8H,10H2
InChI Key:
KHDORVLVNIOXJY-UHFFFAOYSA-N
SMILES:
N#Cc1nccc(c1)OCc1ccccc1
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.079g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.236g/mol
Monoisotopic Mass:
210.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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