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Home > Nitro Compounds > 89302-15-8
89302-15-8 | 2-(5-Methoxy-2-nitrophenyl)acetonitrile
CAS No: 89302-15-8 Catalog No: AG0040CO MDL No:MFCD03840728
Product Description
Catalog Number:
AG0040CO
Chemical Name:
2-(5-Methoxy-2-nitrophenyl)acetonitrile
CAS Number:
89302-15-8
Molecular Formula:
C9H8N2O3
Molecular Weight:
192.1714
MDL Number:
MFCD03840728
IUPAC Name:
2-(5-methoxy-2-nitrophenyl)acetonitrile
InChI:
InChI=1S/C9H8N2O3/c1-14-8-2-3-9(11(12)13)7(6-8)4-5-10/h2-3,6H,4H2,1H3
InChI Key:
AAPROLSGJIZKSF-UHFFFAOYSA-N
SMILES:
N#CCc1cc(OC)ccc1[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:
1.4
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