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3962-77-4 | 2,5-Dinitroanisole
CAS No: 3962-77-4 Catalog No: AG003G0A MDL No:MFCD09037654
Product Description
Catalog Number:
AG003G0A
Chemical Name:
2,5-Dinitroanisole
CAS Number:
3962-77-4
Molecular Formula:
C7H6N2O5
Molecular Weight:
198.1329
MDL Number:
MFCD09037654
IUPAC Name:
2-methoxy-1,4-dinitrobenzene
InChI:
InChI=1S/C7H6N2O5/c1-14-7-4-5(8(10)11)2-3-6(7)9(12)13/h2-4H,1H3
InChI Key:
MUBJXSCTPOBLCX-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.028g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.134g/mol
Monoisotopic Mass:
198.028g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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