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Home > Imidazoles > 94720-52-2
94720-52-2 | 1H-Benzimidazole, 2-(4-morpholinylmethyl)-5-nitro-
CAS No: 94720-52-2 Catalog No: AG005VQ8 MDL No:MFCD00433880
Product Description
Catalog Number:
AG005VQ8
Chemical Name:
1H-Benzimidazole, 2-(4-morpholinylmethyl)-5-nitro-
CAS Number:
94720-52-2
Molecular Formula:
C12H14N4O3
Molecular Weight:
262.2646
MDL Number:
MFCD00433880
IUPAC Name:
4-[(6-nitro-1H-benzimidazol-2-yl)methyl]morpholine
InChI:
InChI=1S/C12H14N4O3/c17-16(18)9-1-2-10-11(7-9)14-12(13-10)8-15-3-5-19-6-4-15/h1-2,7H,3-6,8H2,(H,13,14)
InChI Key:
ALUIMZSYELSWQJ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)nc([nH]2)CN1CCOCC1
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.107g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.269g/mol
Monoisotopic Mass:
262.107g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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