Home Nitriles Benzeneacetonitrile, 4,5-dimethoxy-2-nitro-

Benzeneacetonitrile, 4,5-dimethoxy-2-nitro-

CAS No.:
17354-04-0
Catalog Number:
AG001Z0E
Molecular Formula:
C10H10N2O4
Molecular Weight:
222.1974
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Product Description
Catalog Number:
AG001Z0E
Chemical Name:
Benzeneacetonitrile, 4,5-dimethoxy-2-nitro-
CAS Number:
17354-04-0
Molecular Formula:
C10H10N2O4
Molecular Weight:
222.1974
MDL Number:
MFCD00033967
IUPAC Name:
2-(4,5-dimethoxy-2-nitrophenyl)acetonitrile
InChI:
InChI=1S/C10H10N2O4/c1-15-9-5-7(3-4-11)8(12(13)14)6-10(9)16-2/h5-6H,3H2,1-2H3
InChI Key:
PKDJSFDIQCAPSY-UHFFFAOYSA-N
SMILES:
N#CCc1cc(OC)c(cc1[N+](=O)[O-])OC
NSC Number:
10126
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  
Properties