Home Other Building Blocks 2-(1-benzyl-1H-imidazol-5-yl)acetic acid hydrochloride

2-(1-benzyl-1H-imidazol-5-yl)acetic acid hydrochloride

CAS No.:
179025-83-3
Catalog Number:
AG01BDZL
Molecular Formula:
C12H13ClN2O2
Molecular Weight:
252.6968
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Product Description
Catalog Number:
AG01BDZL
Chemical Name:
2-(1-benzyl-1H-imidazol-5-yl)acetic acid hydrochloride
CAS Number:
179025-83-3
Molecular Formula:
C12H13ClN2O2
Molecular Weight:
252.6968
MDL Number:
MFCD28063749
IUPAC Name:
2-(3-benzylimidazol-4-yl)acetic acid;hydrochloride
InChI:
InChI=1S/C12H12N2O2.ClH/c15-12(16)6-11-7-13-9-14(11)8-10-4-2-1-3-5-10;/h1-5,7,9H,6,8H2,(H,15,16);1H
InChI Key:
RLPVWSYERJWSSI-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1cncn1Cc1ccccc1.Cl
Properties
Complexity:
239  
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:
4  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties