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Home > Nitro Compounds > 2060058-65-1
2060058-65-1 | 5-ethyl-3-methyl-2-nitrobenzonitrile
CAS No: 2060058-65-1 Catalog No: AG01BW87 MDL No:MFCD30476877
Product Description
Catalog Number:
AG01BW87
Chemical Name:
5-ethyl-3-methyl-2-nitrobenzonitrile
CAS Number:
2060058-65-1
Molecular Formula:
C10H10N2O2
Molecular Weight:
190.1986
MDL Number:
MFCD30476877
IUPAC Name:
5-ethyl-3-methyl-2-nitrobenzonitrile
InChI:
InChI=1S/C10H10N2O2/c1-3-8-4-7(2)10(12(13)14)9(5-8)6-11/h4-5H,3H2,1-2H3
InChI Key:
SHEVWHVIDUDIIL-UHFFFAOYSA-N
SMILES:
N#Cc1cc(CC)cc(c1[N+](=O)[O-])C
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.074g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.202g/mol
Monoisotopic Mass:
190.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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