Home Nitros 1,3,5-Trimethyl-2,4,6-trinitrobenzene

1,3,5-Trimethyl-2,4,6-trinitrobenzene

CAS No.:
602-96-0
Catalog Number:
AG00EEWG
Molecular Formula:
C9H9N3O6
Molecular Weight:
255.1843
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Product Description
Catalog Number:
AG00EEWG
Chemical Name:
1,3,5-Trimethyl-2,4,6-trinitrobenzene
CAS Number:
602-96-0
Molecular Formula:
C9H9N3O6
Molecular Weight:
255.1843
MDL Number:
MFCD00434721
IUPAC Name:
1,3,5-trimethyl-2,4,6-trinitrobenzene
InChI:
InChI=1S/C9H9N3O6/c1-4-7(10(13)14)5(2)9(12(17)18)6(3)8(4)11(15)16/h1-3H3
InChI Key:
YVJCXMCIFPUNDO-UHFFFAOYSA-N
SMILES:
Cc1c([N+](=O)[O-])c(C)c(c(c1[N+](=O)[O-])C)[N+](=O)[O-]
NSC Number:
29088
Properties
Complexity:
295  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.049g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.186g/mol
Monoisotopic Mass:
255.049g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties