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Home > Imidazoles > 103706-79-2
103706-79-2 | Benzamide,N-[(6-nitro-1H-benzimidazol-1-yl)methyl]-
CAS No: 103706-79-2 Catalog No: AG007FW2 MDL No:
Product Description
Catalog Number:
AG007FW2
Chemical Name:
Benzamide,N-[(6-nitro-1H-benzimidazol-1-yl)methyl]-
CAS Number:
103706-79-2
Molecular Formula:
C15H12N4O3
Molecular Weight:
296.2808
IUPAC Name:
N-[(6-nitrobenzimidazol-1-yl)methyl]benzamide
InChI:
InChI=1S/C15H12N4O3/c20-15(11-4-2-1-3-5-11)17-10-18-9-16-13-7-6-12(19(21)22)8-14(13)18/h1-9H,10H2,(H,17,20)
InChI Key:
GGNSDCJNCSNCFA-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)NCn1cnc2c1cc(cc2)[N+](=O)[O-]
Properties
Complexity:
420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.091g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
296.286g/mol
Monoisotopic Mass:
296.091g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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