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76145-68-1 | Phenol, 4-(3-methyl-3H-naphth[1,2-d]imidazol-2-yl)-
CAS No: 76145-68-1 Catalog No: AG005FFD MDL No:
Product Description
Catalog Number:
AG005FFD
Chemical Name:
Phenol, 4-(3-methyl-3H-naphth[1,2-d]imidazol-2-yl)-
CAS Number:
76145-68-1
Molecular Formula:
C18H14N2O
Molecular Weight:
274.3166
IUPAC Name:
4-(3-methylbenzo[e]benzimidazol-2-yl)phenol
InChI:
InChI=1S/C18H14N2O/c1-20-16-11-8-12-4-2-3-5-15(12)17(16)19-18(20)13-6-9-14(21)10-7-13/h2-11,21H,1H3
InChI Key:
CLFQBYACSGWEOG-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)c1nc2c(n1C)ccc1c2cccc1
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.111g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
274.323g/mol
Monoisotopic Mass:
274.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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