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Home > Nitro Compounds > 825619-21-4
825619-21-4 | Benzoic acid, 2-ethoxy-4,5-dinitro-, methyl ester
CAS No: 825619-21-4 Catalog No: AG004YLO MDL No:
Product Description
Catalog Number:
AG004YLO
Chemical Name:
Benzoic acid, 2-ethoxy-4,5-dinitro-, methyl ester
CAS Number:
825619-21-4
Molecular Formula:
C10H10N2O7
Molecular Weight:
270.1956
IUPAC Name:
methyl 2-ethoxy-4,5-dinitrobenzoate
InChI:
InChI=1S/C10H10N2O7/c1-3-19-9-5-8(12(16)17)7(11(14)15)4-6(9)10(13)18-2/h4-5H,3H2,1-2H3
InChI Key:
PWFLIABHBIWFRF-UHFFFAOYSA-N
SMILES:
CCOc1cc([N+](=O)[O-])c(cc1C(=O)OC)[N+](=O)[O-]
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.049g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.197g/mol
Monoisotopic Mass:
270.049g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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