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Home > Nitro Compounds > 91997-67-0

91997-67-0

91997-67-0 | Perylene, 3,10-dinitro-

CAS No: 91997-67-0 Catalog No: AG006GCA MDL No:

Product Description

Catalog Number:
AG006GCA
Chemical Name:
Perylene, 3,10-dinitro-
CAS Number:
91997-67-0
Molecular Formula:
C20H10N2O4
Molecular Weight:
342.3044
IUPAC Name:
3,10-dinitroperylene
InChI:
InChI=1S/C20H10N2O4/c23-21(24)17-9-7-13-14-8-10-18(22(25)26)16-6-2-4-12(20(14)16)11-3-1-5-15(17)19(11)13/h1-10H
InChI Key:
QNXWBZYCPMWRPF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c3c1cccc3c1c3c2ccc(c3ccc1)[N+](=O)[O-]

Properties

Complexity:
548  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.064g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
342.31g/mol
Monoisotopic Mass:
342.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4  

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