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825649-80-7 | Benzoic acid, 2-(4-aminophenoxy)-4-bromo-
CAS No: 825649-80-7 Catalog No: AG004Y37 MDL No:
Product Description
Catalog Number:
AG004Y37
Chemical Name:
Benzoic acid, 2-(4-aminophenoxy)-4-bromo-
CAS Number:
825649-80-7
Molecular Formula:
C13H10BrNO3
Molecular Weight:
308.1274
IUPAC Name:
2-(4-aminophenoxy)-4-bromobenzoic acid
InChI:
InChI=1S/C13H10BrNO3/c14-8-1-6-11(13(16)17)12(7-8)18-10-4-2-9(15)3-5-10/h1-7H,15H2,(H,16,17)
InChI Key:
WOQROCXTIIZWOU-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)Oc1cc(Br)ccc1C(=O)O
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.984g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
308.131g/mol
Monoisotopic Mass:
306.984g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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