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14617-27-7 | 1,1':3',1''-Terphenyl, 2'-isocyanato-5'-phenyl- (9CI)
CAS No: 14617-27-7 Catalog No: AG001DRC MDL No:
Product Description
Catalog Number:
AG001DRC
Chemical Name:
1,1':3',1''-Terphenyl, 2'-isocyanato-5'-phenyl- (9CI)
CAS Number:
14617-27-7
Molecular Formula:
C25H17NO
Molecular Weight:
347.4086
IUPAC Name:
2-isocyanato-1,3,5-triphenylbenzene
InChI:
InChI=1S/C25H17NO/c27-18-26-25-23(20-12-6-2-7-13-20)16-22(19-10-4-1-5-11-19)17-24(25)21-14-8-3-9-15-21/h1-17H
InChI Key:
CCMMXDLXGFMMMH-UHFFFAOYSA-N
SMILES:
O=C=Nc1c(cc(cc1c1ccccc1)c1ccccc1)c1ccccc1
Properties
Complexity:
465
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.131g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
347.417g/mol
Monoisotopic Mass:
347.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.6
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