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Home > Nitro Compounds > 29306-57-8
29306-57-8 | Benzene, 1,3,5-triazido-2,4,6-trinitro-
CAS No: 29306-57-8 Catalog No: AG002Y10 MDL No:
Product Description
Catalog Number:
AG002Y10
Chemical Name:
Benzene, 1,3,5-triazido-2,4,6-trinitro-
CAS Number:
29306-57-8
Molecular Formula:
C6N12O6
Molecular Weight:
336.1410
IUPAC Name:
1,3,5-triazido-2,4,6-trinitrobenzene
InChI:
InChI=1S/C6N12O6/c7-13-10-1-4(16(19)20)2(11-14-8)6(18(23)24)3(12-15-9)5(1)17(21)22
InChI Key:
LIPDUIOSIFXENT-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=Nc1c([N+](=O)[O-])c(N=[N+]=[N-])c(c(c1[N+](=O)[O-])N=[N+]=[N-])[N+](=O)[O-]
UNII:
25NHL6Y97G
Properties
Complexity:
573
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.006g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
336.144g/mol
Monoisotopic Mass:
336.006g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
181A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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