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Home > Imidazoles > 929972-79-2
929972-79-2 | 2-[4-(1H-imidazol-1-ylmethyl)phenyl]benzoic acid
CAS No: 929972-79-2 Catalog No: AG019L90 MDL No:MFCD09040732
Product Description
Catalog Number:
AG019L90
Chemical Name:
2-[4-(1H-imidazol-1-ylmethyl)phenyl]benzoic acid
CAS Number:
929972-79-2
Molecular Formula:
C17H14N2O2
Molecular Weight:
278.3053
MDL Number:
MFCD09040732
IUPAC Name:
2-[4-(imidazol-1-ylmethyl)phenyl]benzoic acid
InChI:
InChI=1S/C17H14N2O2/c20-17(21)16-4-2-1-3-15(16)14-7-5-13(6-8-14)11-19-10-9-18-12-19/h1-10,12H,11H2,(H,20,21)
InChI Key:
NBJIJPOKRVTYTI-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1c1ccc(cc1)Cn1ccnc1
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.106g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.311g/mol
Monoisotopic Mass:
278.106g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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