Home Other Building Blocks 2-[4-(1H-imidazol-1-yl)phenyl]acetic acid hydrochloride

2-[4-(1H-imidazol-1-yl)phenyl]acetic acid hydrochloride

CAS No.:
1955531-31-3
Catalog Number:
AG01B411
Molecular Formula:
C11H11ClN2O2
Molecular Weight:
238.6702
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Product Description
Catalog Number:
AG01B411
Chemical Name:
2-[4-(1H-imidazol-1-yl)phenyl]acetic acid hydrochloride
CAS Number:
1955531-31-3
Molecular Formula:
C11H11ClN2O2
Molecular Weight:
238.6702
MDL Number:
MFCD29991773
IUPAC Name:
2-(4-imidazol-1-ylphenyl)acetic acid;hydrochloride
InChI:
InChI=1S/C11H10N2O2.ClH/c14-11(15)7-9-1-3-10(4-2-9)13-6-5-12-8-13;/h1-6,8H,7H2,(H,14,15);1H
InChI Key:
WPHJKMVPMYVYHS-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccc(cc1)n1ccnc1.Cl
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
Properties