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18249-95-1 | Benzamide, N-(1H-benzimidazol-1-ylmethyl)-4-nitro-
CAS No: 18249-95-1 Catalog No: AG0023XQ MDL No:
Product Description
Catalog Number:
AG0023XQ
Chemical Name:
Benzamide, N-(1H-benzimidazol-1-ylmethyl)-4-nitro-
CAS Number:
18249-95-1
Molecular Formula:
C15H12N4O3
Molecular Weight:
296.2808
IUPAC Name:
N-(benzimidazol-1-ylmethyl)-4-nitrobenzamide
InChI:
InChI=1S/C15H12N4O3/c20-15(11-5-7-12(8-6-11)19(21)22)17-10-18-9-16-13-3-1-2-4-14(13)18/h1-9H,10H2,(H,17,20)
InChI Key:
OAGQTTXDLYEMBT-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)[N+](=O)[O-])NCn1cnc2c1cccc2
Properties
Complexity:
418
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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