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Home > Nitro Compounds > 102714-71-6
102714-71-6 | Benzonitrile, 4,5-dimethoxy-2-nitro-
CAS No: 102714-71-6 Catalog No: AG00087O MDL No:MFCD00017564
Product Description
Catalog Number:
AG00087O
Chemical Name:
Benzonitrile, 4,5-dimethoxy-2-nitro-
CAS Number:
102714-71-6
Molecular Formula:
C9H8N2O4
Molecular Weight:
208.1708
MDL Number:
MFCD00017564
IUPAC Name:
4,5-dimethoxy-2-nitrobenzonitrile
InChI:
InChI=1S/C9H8N2O4/c1-14-8-3-6(5-10)7(11(12)13)4-9(8)15-2/h3-4H,1-2H3
InChI Key:
NQSQQGDTYKGCOT-UHFFFAOYSA-N
SMILES:
COc1cc([N+](=O)[O-])c(cc1OC)C#N
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.048g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.173g/mol
Monoisotopic Mass:
208.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
88.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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