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Home > Imidazoles > 1134483-46-7
1134483-46-7 | 4-(2-Methyl-imidazol-1-ylmethyl)-benzoic acid hydrochloride
CAS No: 1134483-46-7 Catalog No: AG01ARB1 MDL No:MFCD09743476
Product Description
Catalog Number:
AG01ARB1
Chemical Name:
4-(2-Methyl-imidazol-1-ylmethyl)-benzoic acid hydrochloride
CAS Number:
1134483-46-7
Molecular Formula:
C12H13ClN2O2
Molecular Weight:
252.6968
MDL Number:
MFCD09743476
IUPAC Name:
4-[(2-methylimidazol-1-yl)methyl]benzoic acid;hydrochloride
InChI:
InChI=1S/C12H12N2O2.ClH/c1-9-13-6-7-14(9)8-10-2-4-11(5-3-10)12(15)16;/h2-7H,8H2,1H3,(H,15,16);1H
InChI Key:
YIFQRHZPDXWIHJ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)Cn1ccnc1C.Cl
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.067g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
252.698g/mol
Monoisotopic Mass:
252.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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