Home Halogens 2-(4-bromo-1H-imidazol-1-yl)acetic acid

2-(4-bromo-1H-imidazol-1-yl)acetic acid

CAS No.:
1211524-53-6
Catalog Number:
AG01BKDS
Molecular Formula:
C5H5BrN2O2
Molecular Weight:
205.0094
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Product Description
Catalog Number:
AG01BKDS
Chemical Name:
2-(4-bromo-1H-imidazol-1-yl)acetic acid
CAS Number:
1211524-53-6
Molecular Formula:
C5H5BrN2O2
Molecular Weight:
205.0094
MDL Number:
MFCD22381859
IUPAC Name:
2-(4-bromoimidazol-1-yl)acetic acid
InChI:
InChI=1S/C5H5BrN2O2/c6-4-1-8(3-7-4)2-5(9)10/h1,3H,2H2,(H,9,10)
InChI Key:
FKCMCDIGCAZZFV-UHFFFAOYSA-N
SMILES:
OC(=O)Cn1cnc(c1)Br
Properties
Complexity:
142  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.953g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
205.011g/mol
Monoisotopic Mass:
203.953g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties