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38469-83-9 | 4-Methoxy-2-nitrobenzonitrile
CAS No: 38469-83-9 Catalog No: AG003LMF MDL No:MFCD00667741
Product Description
Catalog Number:
AG003LMF
Chemical Name:
4-Methoxy-2-nitrobenzonitrile
CAS Number:
38469-83-9
Molecular Formula:
C8H6N2O3
Molecular Weight:
178.1448
MDL Number:
MFCD00667741
IUPAC Name:
4-methoxy-2-nitrobenzonitrile
InChI:
InChI=1S/C8H6N2O3/c1-13-7-3-2-6(5-9)8(4-7)10(11)12/h2-4H,1H3
InChI Key:
UUYPUFCWSUBTFP-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)[N+](=O)[O-])C#N
NSC Number:
149944
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.038g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.147g/mol
Monoisotopic Mass:
178.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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