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Home > Nitro Compounds > 727974-30-3
727974-30-3 | 4-methyl-3-nitro-benzimidic acid ethyl ester
CAS No: 727974-30-3 Catalog No: AG00G213 MDL No:
Product Description
Catalog Number:
AG00G213
Chemical Name:
4-methyl-3-nitro-benzimidic acid ethyl ester
CAS Number:
727974-30-3
IUPAC Name:
ethyl 4-methyl-3-nitrobenzenecarboximidate
InChI:
InChI=1S/C10H12N2O3/c1-3-15-10(11)8-5-4-7(2)9(6-8)12(13)14/h4-6,11H,3H2,1-2H3
InChI Key:
HUNSWEFZDFJUIC-UHFFFAOYSA-N
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.085g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.217g/mol
Monoisotopic Mass:
208.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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