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Home > Nitro Compounds > 25174-09-8
25174-09-8 | Benzonitrile, 2,3-dimethoxy-5-nitro-
CAS No: 25174-09-8 Catalog No: AG002QRX MDL No:
Product Description
Catalog Number:
AG002QRX
Chemical Name:
Benzonitrile, 2,3-dimethoxy-5-nitro-
CAS Number:
25174-09-8
Molecular Formula:
C9H8N2O4
Molecular Weight:
208.1708
IUPAC Name:
2,3-dimethoxy-5-nitrobenzonitrile
InChI:
InChI=1S/C9H8N2O4/c1-14-8-4-7(11(12)13)3-6(5-10)9(8)15-2/h3-4H,1-2H3
InChI Key:
PRPCOLXLKKAWCF-UHFFFAOYSA-N
SMILES:
COc1c(OC)cc(cc1C#N)[N+](=O)[O-]
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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