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Home > Nitro Compounds > 19036-79-4
19036-79-4 | Phenol, 3-ethyl-2,4,6-trinitro-
CAS No: 19036-79-4 Catalog No: AG002EII MDL No:
Product Description
Catalog Number:
AG002EII
Chemical Name:
Phenol, 3-ethyl-2,4,6-trinitro-
CAS Number:
19036-79-4
Molecular Formula:
C8H7N3O7
Molecular Weight:
257.1571
IUPAC Name:
3-ethyl-2,4,6-trinitrophenol
InChI:
InChI=1S/C8H7N3O7/c1-2-4-5(9(13)14)3-6(10(15)16)8(12)7(4)11(17)18/h3,12H,2H2,1H3
InChI Key:
JIDBZOKWLMCPMG-UHFFFAOYSA-N
SMILES:
CCc1c(cc(c(c1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]
NSC Number:
10723
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.028g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.158g/mol
Monoisotopic Mass:
257.028g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
158A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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