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Home > Nitro Compounds > 19019-04-6
19019-04-6 | Benzonitrile, 2-methoxy-3,5-dinitro-
CAS No: 19019-04-6 Catalog No: AG002EEH MDL No:
Product Description
Catalog Number:
AG002EEH
Chemical Name:
Benzonitrile, 2-methoxy-3,5-dinitro-
CAS Number:
19019-04-6
Molecular Formula:
C8H5N3O5
Molecular Weight:
223.1424
IUPAC Name:
2-methoxy-3,5-dinitrobenzonitrile
InChI:
InChI=1S/C8H5N3O5/c1-16-8-5(4-9)2-6(10(12)13)3-7(8)11(14)15/h2-3H,1H3
InChI Key:
BKJAXBDANXXYKI-UHFFFAOYSA-N
SMILES:
COc1c(C#N)cc(cc1[N+](=O)[O-])[N+](=O)[O-]
EC Number:
242-757-1
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.023g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.144g/mol
Monoisotopic Mass:
223.023g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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