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54889-67-7 | 5-Nitro-1-benzyl-1H-benzimidazol-4-ol
CAS No: 54889-67-7 Catalog No: AG00E4KV MDL No:
Product Description
Catalog Number:
AG00E4KV
Chemical Name:
5-Nitro-1-benzyl-1H-benzimidazol-4-ol
CAS Number:
54889-67-7
IUPAC Name:
1-benzyl-5-nitrobenzimidazol-4-ol
InChI:
InChI=1S/C14H11N3O3/c18-14-12(17(19)20)7-6-11-13(14)15-9-16(11)8-10-4-2-1-3-5-10/h1-7,9,18H,8H2
InChI Key:
UUDLEUGYXJUZAZ-UHFFFAOYSA-N
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.08g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.26g/mol
Monoisotopic Mass:
269.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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