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Home > Nitro Compounds > 26830-95-5
26830-95-5 | 4-Methyl-2-nitrobenzonitrile
CAS No: 26830-95-5 Catalog No: AG003LQ5 MDL No:MFCD00056107
Product Description
Catalog Number:
AG003LQ5
Chemical Name:
4-Methyl-2-nitrobenzonitrile
CAS Number:
26830-95-5
Molecular Formula:
C8H6N2O2
Molecular Weight:
162.1454
MDL Number:
MFCD00056107
IUPAC Name:
4-methyl-2-nitrobenzonitrile
InChI:
InChI=1S/C8H6N2O2/c1-6-2-3-7(5-9)8(4-6)10(11)12/h2-4H,1H3
InChI Key:
QGBSLPHQCUIZKK-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1[N+](=O)[O-])C
EC Number:
248-019-5
NSC Number:
60828
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.043g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.148g/mol
Monoisotopic Mass:
162.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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