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Home > Imidazoles > 135611-32-4
135611-32-4 | 4-(1H-IMIDAZOL-1-YLMETHYL)BENZOIC ACID HYDROCHLORIDE
CAS No: 135611-32-4 Catalog No: AG009CW1 MDL No:MFCD08271922
Product Description
Catalog Number:
AG009CW1
Chemical Name:
4-(1H-IMIDAZOL-1-YLMETHYL)BENZOIC ACID HYDROCHLORIDE
CAS Number:
135611-32-4
Molecular Formula:
C11H10N2O2
Molecular Weight:
202.2093
MDL Number:
MFCD08271922
IUPAC Name:
4-(imidazol-1-ylmethyl)benzoic acid;hydrochloride
InChI:
InChI=1S/C11H10N2O2.ClH/c14-11(15)10-3-1-9(2-4-10)7-13-6-5-12-8-13;/h1-6,8H,7H2,(H,14,15);1H
InChI Key:
MZTHHEXWAYFTBJ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)Cn1cncc1
Properties
Complexity:
225
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:
3
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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