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188626-48-4 | Phenol, 2-[(1H-benzimidazol-2-ylimino)methyl]-5-bromo-
CAS No: 188626-48-4 Catalog No: AG002H2E MDL No:
Product Description
Catalog Number:
AG002H2E
Chemical Name:
Phenol, 2-[(1H-benzimidazol-2-ylimino)methyl]-5-bromo-
CAS Number:
188626-48-4
Molecular Formula:
C14H10BrN3O
Molecular Weight:
316.1527
IUPAC Name:
2-(1H-benzimidazol-2-yliminomethyl)-5-bromophenol
InChI:
InChI=1S/C14H10BrN3O/c15-10-6-5-9(13(19)7-10)8-16-14-17-11-3-1-2-4-12(11)18-14/h1-8,19H,(H,17,18)
InChI Key:
YMYCBXJZEYQDAV-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)O)C=Nc1nc2c([nH]1)cccc2
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.001g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
316.158g/mol
Monoisotopic Mass:
315.001g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.5
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