Home Carboxys Methyl 5-Bromo-1H-1,2,3-triazole-4-carboxylate

Methyl 5-Bromo-1H-1,2,3-triazole-4-carboxylate

CAS No.:
1427475-25-9
Catalog Number:
AG003RX6
Molecular Formula:
C4H4BrN3O2
Molecular Weight:
205.9975
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Product Description
Catalog Number:
AG003RX6
Chemical Name:
Methyl 5-Bromo-1H-1,2,3-triazole-4-carboxylate
CAS Number:
1427475-25-9
Molecular Formula:
C4H4BrN3O2
Molecular Weight:
205.9975
MDL Number:
MFCD23381099
IUPAC Name:
methyl 5-bromo-2H-triazole-4-carboxylate
InChI:
InChI=1S/C4H4BrN3O2/c1-10-4(9)2-3(5)7-8-6-2/h1H3,(H,6,7,8)
InChI Key:
IVGXTPMJNKWAHJ-UHFFFAOYSA-N
SMILES:
COC(=O)c1nn[nH]c1Br
Properties
Complexity:
143  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.949g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
205.999g/mol
Monoisotopic Mass:
204.949g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties