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610-54-8 | 2,4-DINITROPHENETOLE
CAS No: 610-54-8 Catalog No: AG003FV4 MDL No:MFCD00024224
Product Description
Catalog Number:
AG003FV4
Chemical Name:
2,4-DINITROPHENETOLE
CAS Number:
610-54-8
Molecular Formula:
C8H8N2O5
Molecular Weight:
212.1595
MDL Number:
MFCD00024224
IUPAC Name:
1-ethoxy-2,4-dinitrobenzene
InChI:
InChI=1S/C8H8N2O5/c1-2-15-8-4-3-6(9(11)12)5-7(8)10(13)14/h3-5H,2H2,1H3
InChI Key:
YSOKMOXAGMIZFZ-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
EC Number:
210-228-4
NSC Number:
6227
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.043g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.161g/mol
Monoisotopic Mass:
212.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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