Home Halogens methyl 4-bromo-5-acetamidofuran-2-carboxylate

methyl 4-bromo-5-acetamidofuran-2-carboxylate

CAS No.:
2138550-12-4
Catalog Number:
AG01ELQK
Molecular Formula:
C8H8BrNO4
Molecular Weight:
262.0574
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Product Description
Catalog Number:
AG01ELQK
Chemical Name:
methyl 4-bromo-5-acetamidofuran-2-carboxylate
CAS Number:
2138550-12-4
Molecular Formula:
C8H8BrNO4
Molecular Weight:
262.0574
MDL Number:
MFCD31559241
IUPAC Name:
methyl 5-acetamido-4-bromofuran-2-carboxylate
InChI:
InChI=1S/C8H8BrNO4/c1-4(11)10-7-5(9)3-6(14-7)8(12)13-2/h3H,1-2H3,(H,10,11)
InChI Key:
VOLINUWWKOMICG-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(c(o1)NC(=O)C)Br
Properties
Complexity:
246  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.964g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
262.059g/mol
Monoisotopic Mass:
260.964g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties