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

methyl 2-(4-iodo-1H-1,2,3-triazol-1-yl)acetate

CAS No.:
2138074-18-5
Catalog Number:
AG01ELED
Molecular Formula:
C5H6IN3O2
Molecular Weight:
267.0245
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Product Description
Catalog Number:
AG01ELED
Chemical Name:
methyl 2-(4-iodo-1H-1,2,3-triazol-1-yl)acetate
CAS Number:
2138074-18-5
Molecular Formula:
C5H6IN3O2
Molecular Weight:
267.0245
MDL Number:
MFCD31559062
IUPAC Name:
methyl 2-(4-iodotriazol-1-yl)acetate
InChI:
InChI=1S/C5H6IN3O2/c1-11-5(10)3-9-2-4(6)7-8-9/h2H,3H2,1H3
InChI Key:
YXHITHIDQHPWFD-UHFFFAOYSA-N
SMILES:
COC(=O)Cn1cc(nn1)I
Properties
Complexity:
155  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.95g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.026g/mol
Monoisotopic Mass:
266.95g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
57A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties