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Home > Nitro Compounds > 24722-66-5
24722-66-5 | Diazene, 1-(4-isothiocyanatophenyl)-2-(4-nitrophenyl)-
CAS No: 24722-66-5 Catalog No: AG002P87 MDL No:
Product Description
Catalog Number:
AG002P87
Chemical Name:
Diazene, 1-(4-isothiocyanatophenyl)-2-(4-nitrophenyl)-
CAS Number:
24722-66-5
Molecular Formula:
C13H8N4O2S
Molecular Weight:
284.2932
IUPAC Name:
(4-isothiocyanatophenyl)-(4-nitrophenyl)diazene
InChI:
InChI=1S/C13H8N4O2S/c18-17(19)13-7-5-12(6-8-13)16-15-11-3-1-10(2-4-11)14-9-20/h1-8H
InChI Key:
HQLMTPHMWRDLGZ-UHFFFAOYSA-N
SMILES:
S=C=Nc1ccc(cc1)N=Nc1ccc(cc1)[N+](=O)[O-]
NSC Number:
137466
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.037g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.293g/mol
Monoisotopic Mass:
284.037g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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