Home Other Building Blocks 4-(6-methyl-1H-1,3-benzodiazol-2-yl)phenol

4-(6-methyl-1H-1,3-benzodiazol-2-yl)phenol

CAS No.:
113561-64-1
Catalog Number:
AG01B8N0
Molecular Formula:
C14H12N2O
Molecular Weight:
224.2579
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Product Description
Catalog Number:
AG01B8N0
Chemical Name:
4-(6-methyl-1H-1,3-benzodiazol-2-yl)phenol
CAS Number:
113561-64-1
Molecular Formula:
C14H12N2O
Molecular Weight:
224.2579
MDL Number:
MFCD12408725
IUPAC Name:
4-(6-methyl-1H-benzimidazol-2-yl)phenol
InChI:
InChI=1S/C14H12N2O/c1-9-2-7-12-13(8-9)16-14(15-12)10-3-5-11(17)6-4-10/h2-8,17H,1H3,(H,15,16)
InChI Key:
CPQLMFZCFVDANN-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)c1nc2c([nH]1)cc(cc2)C
Properties
Complexity:
263  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.095g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
224.263g/mol
Monoisotopic Mass:
224.095g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
48.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties