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1141669-47-7 | Benzoic acid, 2-amino-4-(1H-imidazol-1-yl)-
CAS No: 1141669-47-7 Catalog No: AG000AOS MDL No:MFCD11656801
Product Description
Catalog Number:
AG000AOS
Chemical Name:
Benzoic acid, 2-amino-4-(1H-imidazol-1-yl)-
CAS Number:
1141669-47-7
Molecular Formula:
C10H9N3O2
Molecular Weight:
203.1974
MDL Number:
MFCD11656801
IUPAC Name:
2-amino-4-imidazol-1-ylbenzoic acid
InChI:
InChI=1S/C10H9N3O2/c11-9-5-7(13-4-3-12-6-13)1-2-8(9)10(14)15/h1-6H,11H2,(H,14,15)
InChI Key:
MABIXNJFYSFLOR-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1N)n1cncc1
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:
1.1
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