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277311-01-0 | 1H-Benzimidazole-6-carboximidamide, 2-(2,3-dihydroxyphenyl)-
CAS No: 277311-01-0 Catalog No: AG002ULA MDL No:
Product Description
Catalog Number:
AG002ULA
Chemical Name:
1H-Benzimidazole-6-carboximidamide, 2-(2,3-dihydroxyphenyl)-
CAS Number:
277311-01-0
Molecular Formula:
C14H12N4O2
Molecular Weight:
268.2707
IUPAC Name:
2-(2,3-dihydroxyphenyl)-3H-benzimidazole-5-carboximidamide
InChI:
InChI=1S/C14H12N4O2/c15-13(16)7-4-5-9-10(6-7)18-14(17-9)8-2-1-3-11(19)12(8)20/h1-6,19-20H,(H3,15,16)(H,17,18)
InChI Key:
IVNANALJDJLUQV-UHFFFAOYSA-N
SMILES:
NC(=N)c1ccc2c(c1)[nH]c(n2)c1cccc(c1O)O
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.096g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
268.276g/mol
Monoisotopic Mass:
268.096g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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