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157281-45-3 | 1,1'-Biphenyl, 4-(decyloxy)-4'-isocyano-
CAS No: 157281-45-3 Catalog No: AG001PC3 MDL No:
Product Description
Catalog Number:
AG001PC3
Chemical Name:
1,1'-Biphenyl, 4-(decyloxy)-4'-isocyano-
CAS Number:
157281-45-3
Molecular Formula:
C23H29NO
Molecular Weight:
335.4825
IUPAC Name:
1-decoxy-4-(4-isocyanophenyl)benzene
InChI:
InChI=1S/C23H29NO/c1-3-4-5-6-7-8-9-10-19-25-23-17-13-21(14-18-23)20-11-15-22(24-2)16-12-20/h11-18H,3-10,19H2,1H3
InChI Key:
QYEDXNHZFLWFGE-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCOc1ccc(cc1)c1ccc(cc1)[N+]#[C-]
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.225g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
335.491g/mol
Monoisotopic Mass:
335.225g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
13.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.7
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