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21120-68-3 | Benzoic acid, 4-(4-bromophenoxy)-
CAS No: 21120-68-3 Catalog No: AG002L7O MDL No:MFCD01244945
Product Description
Catalog Number:
AG002L7O
Chemical Name:
Benzoic acid, 4-(4-bromophenoxy)-
CAS Number:
21120-68-3
Molecular Formula:
C13H9BrO3
Molecular Weight:
293.1128
MDL Number:
MFCD01244945
IUPAC Name:
4-(4-bromophenoxy)benzoic acid
InChI:
InChI=1S/C13H9BrO3/c14-10-3-7-12(8-4-10)17-11-5-1-9(2-6-11)13(15)16/h1-8H,(H,15,16)
InChI Key:
GQZGWHFUVISZQO-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)Oc1ccc(cc1)C(=O)O
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.974g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
293.116g/mol
Monoisotopic Mass:
291.974g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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