Home Halogens 4-(5-bromofuran-2-amido)benzoic acid

4-(5-bromofuran-2-amido)benzoic acid

CAS No.:
723755-27-9
Catalog Number:
AG019V63
Molecular Formula:
C12H8BrNO4
Molecular Weight:
310.1002
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Product Description
Catalog Number:
AG019V63
Chemical Name:
4-(5-bromofuran-2-amido)benzoic acid
CAS Number:
723755-27-9
Molecular Formula:
C12H8BrNO4
Molecular Weight:
310.1002
MDL Number:
MFCD01014144
IUPAC Name:
4-[(5-bromofuran-2-carbonyl)amino]benzoic acid
InChI:
InChI=1S/C12H8BrNO4/c13-10-6-5-9(18-10)11(15)14-8-3-1-7(2-4-8)12(16)17/h1-6H,(H,14,15)(H,16,17)
InChI Key:
FXIVNDDVYGCWLO-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(o1)Br)Nc1ccc(cc1)C(=O)O
Properties
Complexity:
328  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.964g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
310.103g/mol
Monoisotopic Mass:
308.964g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
79.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties