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Home > Nitro Compounds > 286837-93-2
286837-93-2 | 2-ethyl-1-methyl-5-nitro-1H-1,3-benzodiazole
CAS No: 286837-93-2 Catalog No: AG00IZRT MDL No:MFCD08688844
Product Description
Catalog Number:
AG00IZRT
Chemical Name:
2-ethyl-1-methyl-5-nitro-1H-1,3-benzodiazole
CAS Number:
286837-93-2
Molecular Formula:
C10H11N3O2
Molecular Weight:
205.2132
MDL Number:
MFCD08688844
IUPAC Name:
2-ethyl-1-methyl-5-nitrobenzimidazole
InChI:
InChI=1S/C10H11N3O2/c1-3-10-11-8-6-7(13(14)15)4-5-9(8)12(10)2/h4-6H,3H2,1-2H3
InChI Key:
FDSPVFOXTZKCNZ-UHFFFAOYSA-N
SMILES:
CCc1nc2c(n1C)ccc(c2)[N+](=O)[O-]
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.085g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.217g/mol
Monoisotopic Mass:
205.085g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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