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1219-14-3 | Cyanic acid, C,C'-[1,1'-biphenyl]-4,4'-diyl ester
CAS No: 1219-14-3 Catalog No: AG0016DB MDL No:
Product Description
Catalog Number:
AG0016DB
Chemical Name:
Cyanic acid, C,C'-[1,1'-biphenyl]-4,4'-diyl ester
CAS Number:
1219-14-3
Molecular Formula:
C14H8N2O2
Molecular Weight:
236.2255
IUPAC Name:
[4-(4-cyanatophenyl)phenyl] cyanate
InChI:
InChI=1S/C14H8N2O2/c15-9-17-13-5-1-11(2-6-13)12-3-7-14(8-4-12)18-10-16/h1-8H
InChI Key:
HEJGXMCFSSDPOA-UHFFFAOYSA-N
SMILES:
N#COc1ccc(cc1)c1ccc(cc1)OC#N
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.059g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.23g/mol
Monoisotopic Mass:
236.059g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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