Home Aminos 4-amino-3-(1H-imidazol-1-yl)benzoic acid

4-amino-3-(1H-imidazol-1-yl)benzoic acid

CAS No.:
1550964-06-1
Catalog Number:
AG01C199
Molecular Formula:
C10H9N3O2
Molecular Weight:
203.1974
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01C199
Chemical Name:
4-amino-3-(1H-imidazol-1-yl)benzoic acid
CAS Number:
1550964-06-1
Molecular Formula:
C10H9N3O2
Molecular Weight:
203.1974
MDL Number:
MFCD24306389
IUPAC Name:
4-amino-3-imidazol-1-ylbenzoic acid
InChI:
InChI=1S/C10H9N3O2/c11-8-2-1-7(10(14)15)5-9(8)13-4-3-12-6-13/h1-6H,11H2,(H,14,15)
InChI Key:
UEUQKAJBUGLUNI-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1n1cncc1)C(=O)O
Properties
Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.069g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
203.201g/mol
Monoisotopic Mass:
203.069g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties