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166522-39-0 | Benzenecarboximidic acid, 4-methyl-3-nitro-, methyl ester
CAS No: 166522-39-0 Catalog No: AG001WT4 MDL No:
Product Description
Catalog Number:
AG001WT4
Chemical Name:
Benzenecarboximidic acid, 4-methyl-3-nitro-, methyl ester
CAS Number:
166522-39-0
Molecular Formula:
C9H10N2O3
Molecular Weight:
194.1873
IUPAC Name:
methyl 4-methyl-3-nitrobenzenecarboximidate
InChI:
InChI=1S/C9H10N2O3/c1-6-3-4-7(9(10)14-2)5-8(6)11(12)13/h3-5,10H,1-2H3
InChI Key:
XJWREDVWZRZZHC-UHFFFAOYSA-N
SMILES:
COC(=N)c1ccc(c(c1)[N+](=O)[O-])C
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.069g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.19g/mol
Monoisotopic Mass:
194.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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