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Home > Imidazoles > 876717-95-2
876717-95-2 | 2-[(2-methyl-1H-imidazol-1-yl)methyl]benzoic acid hydrochloride
CAS No: 876717-95-2 Catalog No: AG00JCXR MDL No:MFCD07186453
Product Description
Catalog Number:
AG00JCXR
Chemical Name:
2-[(2-methyl-1H-imidazol-1-yl)methyl]benzoic acid hydrochloride
CAS Number:
876717-95-2
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
MDL Number:
MFCD07186453
IUPAC Name:
2-[(2-methylimidazol-1-yl)methyl]benzoic acid
InChI:
InChI=1S/C12H12N2O2/c1-9-13-6-7-14(9)8-10-4-2-3-5-11(10)12(15)16/h2-7H,8H2,1H3,(H,15,16)
InChI Key:
XNOSBUCGOSKJTR-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1Cn1ccnc1C
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.24g/mol
Monoisotopic Mass:
216.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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