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Home > Pyridines > 900015-08-9
900015-08-9 | 6-(4-tert-butylphenoxy)pyridine-3-carbonitrile
CAS No: 900015-08-9 Catalog No: AG00IY3X MDL No:MFCD07021400
Product Description
Catalog Number:
AG00IY3X
Chemical Name:
6-(4-tert-butylphenoxy)pyridine-3-carbonitrile
CAS Number:
900015-08-9
Molecular Formula:
C16H16N2O
Molecular Weight:
252.3110
MDL Number:
MFCD07021400
IUPAC Name:
6-(4-tert-butylphenoxy)pyridine-3-carbonitrile
InChI:
InChI=1S/C16H16N2O/c1-16(2,3)13-5-7-14(8-6-13)19-15-9-4-12(10-17)11-18-15/h4-9,11H,1-3H3
InChI Key:
BVYMQQNGBCMJTB-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(nc1)Oc1ccc(cc1)C(C)(C)C
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.126g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.317g/mol
Monoisotopic Mass:
252.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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