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10268-63-0 | Benzoic acid, 5-bromo-2-hydroxy-, phenyl ester
CAS No: 10268-63-0 Catalog No: AG00083J MDL No:
Product Description
Catalog Number:
AG00083J
Chemical Name:
Benzoic acid, 5-bromo-2-hydroxy-, phenyl ester
CAS Number:
10268-63-0
Molecular Formula:
C13H9BrO3
Molecular Weight:
293.1128
IUPAC Name:
phenyl 5-bromo-2-hydroxybenzoate
InChI:
InChI=1S/C13H9BrO3/c14-9-6-7-12(15)11(8-9)13(16)17-10-4-2-1-3-5-10/h1-8,15H
InChI Key:
IRDJLIBTYFENSX-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)C(=O)Oc1ccccc1)O
NSC Number:
106078
Properties
Complexity:
263
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:
4.5
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