Home Halogens 6-amino-5-bromobenzofuran-3-carboxylic acid

6-amino-5-bromobenzofuran-3-carboxylic acid

CAS No.:
1595284-72-2
Catalog Number:
AG01DHU9
Molecular Formula:
C9H6BrNO3
Molecular Weight:
256.0528
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Product Description
Catalog Number:
AG01DHU9
Chemical Name:
6-amino-5-bromobenzofuran-3-carboxylic acid
CAS Number:
1595284-72-2
Molecular Formula:
C9H6BrNO3
Molecular Weight:
256.0528
MDL Number:
MFCD30294069
IUPAC Name:
6-amino-5-bromo-1-benzofuran-3-carboxylic acid
InChI:
InChI=1S/C9H6BrNO3/c10-6-1-4-5(9(12)13)3-14-8(4)2-7(6)11/h1-3H,11H2,(H,12,13)
InChI Key:
IYAQETNSNNDWDV-UHFFFAOYSA-N
SMILES:
OC(=O)c1coc2c1cc(Br)c(c2)N
Properties
Complexity:
248  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.953g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
256.055g/mol
Monoisotopic Mass:
254.953g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
76.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties