Home Halogens 2-Benzofurancarboxylicacid, 5,7-dibromo-

2-Benzofurancarboxylicacid, 5,7-dibromo-

CAS No.:
90415-17-1
Catalog Number:
AG006QKV
Molecular Formula:
C9H4Br2O3
Molecular Weight:
319.9343
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Product Description
Catalog Number:
AG006QKV
Chemical Name:
2-Benzofurancarboxylicacid, 5,7-dibromo-
CAS Number:
90415-17-1
Molecular Formula:
C9H4Br2O3
Molecular Weight:
319.9343
IUPAC Name:
5,7-dibromo-1-benzofuran-2-carboxylic acid
InChI:
InChI=1S/C9H4Br2O3/c10-5-1-4-2-7(9(12)13)14-8(4)6(11)3-5/h1-3H,(H,12,13)
InChI Key:
PTCVMMBMRYJVFE-UHFFFAOYSA-N
SMILES:
Brc1cc2cc(oc2c(c1)Br)C(=O)O
Properties
Complexity:
246  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.851g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
319.936g/mol
Monoisotopic Mass:
317.853g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Properties