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Home > Nitro Compounds > 24698-19-9
24698-19-9 | Benzene, 1-isocyanato-4-(4-nitrophenoxy)-
CAS No: 24698-19-9 Catalog No: AG002P1N MDL No:
Product Description
Catalog Number:
AG002P1N
Chemical Name:
Benzene, 1-isocyanato-4-(4-nitrophenoxy)-
CAS Number:
24698-19-9
Molecular Formula:
C13H8N2O4
Molecular Weight:
256.2136
IUPAC Name:
1-isocyanato-4-(4-nitrophenoxy)benzene
InChI:
InChI=1S/C13H8N2O4/c16-9-14-10-1-5-12(6-2-10)19-13-7-3-11(4-8-13)15(17)18/h1-8H
InChI Key:
ZZUFNNNRBCLCQC-UHFFFAOYSA-N
SMILES:
O=C=Nc1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.048g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.217g/mol
Monoisotopic Mass:
256.048g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
84.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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