Home Other Building Blocks 2-(4-iodo-1H-1,2,3-triazol-1-yl)acetic acid

2-(4-iodo-1H-1,2,3-triazol-1-yl)acetic acid

CAS No.:
1360607-69-7
Catalog Number:
AG01ELK9
Molecular Formula:
C4H4IN3O2
Molecular Weight:
252.9979
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Product Description
Catalog Number:
AG01ELK9
Chemical Name:
2-(4-iodo-1H-1,2,3-triazol-1-yl)acetic acid
CAS Number:
1360607-69-7
Molecular Formula:
C4H4IN3O2
Molecular Weight:
252.9979
MDL Number:
MFCD31559638
IUPAC Name:
2-(4-iodotriazol-1-yl)acetic acid
InChI:
InChI=1S/C4H4IN3O2/c5-3-1-8(7-6-3)2-4(9)10/h1H,2H2,(H,9,10)
InChI Key:
LYEAOPYLXGHDLZ-UHFFFAOYSA-N
SMILES:
OC(=O)Cn1cc(nn1)I
Properties
Complexity:
143  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.935g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
252.999g/mol
Monoisotopic Mass:
252.935g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Properties