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97420-57-0 | 2,4-DIHYDROXY-5-(2-BENZO[D]IMIDAZOLYLAZO)BENZOIC ACID
CAS No: 97420-57-0 Catalog No: AG00H8XY MDL No:
Product Description
Catalog Number:
AG00H8XY
Chemical Name:
2,4-DIHYDROXY-5-(2-BENZO[D]IMIDAZOLYLAZO)BENZOIC ACID
CAS Number:
97420-57-0
Molecular Formula:
C14H10N4O4
Molecular Weight:
298.2536
IUPAC Name:
5-(1H-benzimidazol-2-yldiazenyl)-2,4-dihydroxybenzoic acid
InChI:
InChI=1S/C14H10N4O4/c19-11-6-12(20)10(5-7(11)13(21)22)17-18-14-15-8-3-1-2-4-9(8)16-14/h1-6,19-20H,(H,15,16)(H,21,22)
InChI Key:
IICYJJJDCMKXPV-UHFFFAOYSA-N
SMILES:
Oc1cc(O)c(cc1N=Nc1nc2c([nH]1)cccc2)C(=O)O
Properties
Complexity:
447
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.07g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
298.258g/mol
Monoisotopic Mass:
298.07g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
131A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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