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921938-78-5 | Benzoicacid, 4-(2-methyl-1H-imidazol-1-yl)-, hydrochloride (1:1)
CAS No: 921938-78-5 Catalog No: AG006FT5 MDL No:MFCD09258631
Product Description
Catalog Number:
AG006FT5
Chemical Name:
Benzoicacid, 4-(2-methyl-1H-imidazol-1-yl)-, hydrochloride (1:1)
CAS Number:
921938-78-5
Molecular Formula:
C11H11ClN2O2
Molecular Weight:
238.6702
MDL Number:
MFCD09258631
IUPAC Name:
4-(2-methylimidazol-1-yl)benzoic acid;hydrochloride
InChI:
InChI=1S/C11H10N2O2.ClH/c1-8-12-6-7-13(8)10-4-2-9(3-5-10)11(14)15;/h2-7H,1H3,(H,14,15);1H
InChI Key:
BEEGRPWPKUMZCU-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)n1ccnc1C.Cl
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.051g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
238.671g/mol
Monoisotopic Mass:
238.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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