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Home > Nitro Compounds > 20876-27-1
20876-27-1 | Benzeneacetonitrile, 2-methoxy-6-nitro-
CAS No: 20876-27-1 Catalog No: AG002JV8 MDL No:MFCD07781315
Product Description
Catalog Number:
AG002JV8
Chemical Name:
Benzeneacetonitrile, 2-methoxy-6-nitro-
CAS Number:
20876-27-1
Molecular Formula:
C9H8N2O3
Molecular Weight:
192.1714
MDL Number:
MFCD07781315
IUPAC Name:
2-(2-methoxy-6-nitrophenyl)acetonitrile
InChI:
InChI=1S/C9H8N2O3/c1-14-9-4-2-3-8(11(12)13)7(9)5-6-10/h2-4H,5H2,1H3
InChI Key:
ULYNKRWNPIYQCQ-UHFFFAOYSA-N
SMILES:
N#CCc1c(OC)cccc1[N+](=O)[O-]
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.053g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.174g/mol
Monoisotopic Mass:
192.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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