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Home > Nitro Compounds > 2060063-80-9
2060063-80-9 | 5-methoxy-3-methyl-2-nitrobenzonitrile
CAS No: 2060063-80-9 Catalog No: AG01BW85 MDL No:MFCD30476875
Product Description
Catalog Number:
AG01BW85
Chemical Name:
5-methoxy-3-methyl-2-nitrobenzonitrile
CAS Number:
2060063-80-9
Molecular Formula:
C9H8N2O3
Molecular Weight:
192.1714
MDL Number:
MFCD30476875
IUPAC Name:
5-methoxy-3-methyl-2-nitrobenzonitrile
InChI:
InChI=1S/C9H8N2O3/c1-6-3-8(14-2)4-7(5-10)9(6)11(12)13/h3-4H,1-2H3
InChI Key:
SMXBGJSEDMBIQE-UHFFFAOYSA-N
SMILES:
N#Cc1cc(OC)cc(c1[N+](=O)[O-])C
Properties
Complexity:
265
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:
1
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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