200,000+ products from a single source!
sales@angenechem.com
Home > Imidazoles > 108035-47-8
108035-47-8 | 3-(1H-Imidazol-1-yl)benzoic acid
CAS No: 108035-47-8 Catalog No: AG003HZK MDL No:MFCD06659077
Product Description
Catalog Number:
AG003HZK
Chemical Name:
3-(1H-Imidazol-1-yl)benzoic acid
CAS Number:
108035-47-8
Molecular Formula:
C10H8N2O2
Molecular Weight:
188.1827
MDL Number:
MFCD06659077
IUPAC Name:
3-imidazol-1-ylbenzoic acid
InChI:
InChI=1S/C10H8N2O2/c13-10(14)8-2-1-3-9(6-8)12-5-4-11-7-12/h1-7H,(H,13,14)
InChI Key:
WXHAKCASYYCJED-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)n1cncc1
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.059g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.186g/mol
Monoisotopic Mass:
188.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.