Home Halogens 2-(dibromo-2H-1,2,3-triazol-2-yl)acetic acid

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

CAS No.:
2044713-71-3
Catalog Number:
AG01BXU7
Molecular Formula:
C4H3Br2N3O2
Molecular Weight:
284.8935
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Product Description
Catalog Number:
AG01BXU7
Chemical Name:
2-(dibromo-2H-1,2,3-triazol-2-yl)acetic acid
CAS Number:
2044713-71-3
Molecular Formula:
C4H3Br2N3O2
Molecular Weight:
284.8935
MDL Number:
MFCD30488035
IUPAC Name:
2-(4,5-dibromotriazol-2-yl)acetic acid
InChI:
InChI=1S/C4H3Br2N3O2/c5-3-4(6)8-9(7-3)1-2(10)11/h1H2,(H,10,11)
InChI Key:
JUCRNHYSVBKGAP-UHFFFAOYSA-N
SMILES:
OC(=O)Cn1nc(c(n1)Br)Br
Properties
Complexity:
157  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.857g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
284.895g/mol
Monoisotopic Mass:
282.859g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties