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Home > Nitro Compounds > 93427-22-6
93427-22-6 | 2-(3,5-dimethoxy-2-nitrophenyl)acetonitrile
CAS No: 93427-22-6 Catalog No: AG01A6E4 MDL No:MFCD26407588
Product Description
Catalog Number:
AG01A6E4
Chemical Name:
2-(3,5-dimethoxy-2-nitrophenyl)acetonitrile
CAS Number:
93427-22-6
Molecular Formula:
C10H10N2O4
Molecular Weight:
222.1974
MDL Number:
MFCD26407588
IUPAC Name:
2-(3,5-dimethoxy-2-nitrophenyl)acetonitrile
InChI:
InChI=1S/C10H10N2O4/c1-15-8-5-7(3-4-11)10(12(13)14)9(6-8)16-2/h5-6H,3H2,1-2H3
InChI Key:
STAGKOATYXUYMV-UHFFFAOYSA-N
SMILES:
N#CCc1cc(OC)cc(c1[N+](=O)[O-])OC
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.064g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.2g/mol
Monoisotopic Mass:
222.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
88.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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