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Home > Nitro Compounds > 13985-60-9
13985-60-9 | Benzene, 2-ethyl-1,3,5-trinitro-
CAS No: 13985-60-9 Catalog No: AG001BQS MDL No:
Product Description
Catalog Number:
AG001BQS
Chemical Name:
Benzene, 2-ethyl-1,3,5-trinitro-
CAS Number:
13985-60-9
Molecular Formula:
C8H7N3O6
Molecular Weight:
241.1577
IUPAC Name:
2-ethyl-1,3,5-trinitrobenzene
InChI:
InChI=1S/C8H7N3O6/c1-2-6-7(10(14)15)3-5(9(12)13)4-8(6)11(16)17/h3-4H,2H2,1H3
InChI Key:
VDKWJWFQFPWXFC-UHFFFAOYSA-N
SMILES:
CCc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
EC Number:
237-778-8
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.033g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.159g/mol
Monoisotopic Mass:
241.033g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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