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Home > Nitro Compounds > 85187-23-1
85187-23-1 | Benzene,1,3,5-tris(1-methylethyl)-2,4-dinitro-
CAS No: 85187-23-1 Catalog No: AG004MWM MDL No:
Product Description
Catalog Number:
AG004MWM
Chemical Name:
Benzene,1,3,5-tris(1-methylethyl)-2,4-dinitro-
CAS Number:
85187-23-1
Molecular Formula:
C15H22N2O4
Molecular Weight:
294.3462
IUPAC Name:
2,4-dinitro-1,3,5-tri(propan-2-yl)benzene
InChI:
InChI=1S/C15H22N2O4/c1-8(2)11-7-12(9(3)4)15(17(20)21)13(10(5)6)14(11)16(18)19/h7-10H,1-6H3
InChI Key:
NGJYAFYAFKBGRH-UHFFFAOYSA-N
SMILES:
CC(c1c([N+](=O)[O-])c(cc(c1[N+](=O)[O-])C(C)C)C(C)C)C
EC Number:
286-111-7
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.158g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.351g/mol
Monoisotopic Mass:
294.158g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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