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Home > Nitro Compounds > 338954-74-8
338954-74-8 | 2,5,6-trimethyl-1-[(3-methylphenyl)methyl]-4-nitro-1H-1,3-benzodiazole
CAS No: 338954-74-8 Catalog No: AG00IPN3 MDL No:MFCD00232098
Product Description
Catalog Number:
AG00IPN3
Chemical Name:
2,5,6-trimethyl-1-[(3-methylphenyl)methyl]-4-nitro-1H-1,3-benzodiazole
CAS Number:
338954-74-8
Molecular Formula:
C18H19N3O2
Molecular Weight:
309.3624
MDL Number:
MFCD00232098
IUPAC Name:
2,5,6-trimethyl-1-[(3-methylphenyl)methyl]-4-nitrobenzimidazole
InChI:
InChI=1S/C18H19N3O2/c1-11-6-5-7-15(8-11)10-20-14(4)19-17-16(20)9-12(2)13(3)18(17)21(22)23/h5-9H,10H2,1-4H3
InChI Key:
JMDIQONKTIPEMZ-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)Cn1c(C)nc2c1cc(C)c(c2N(=O)=O)C
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.148g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
309.369g/mol
Monoisotopic Mass:
309.148g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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