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1989-22-6 | Benzoic acid, 2-bromo-, phenyl ester
CAS No: 1989-22-6 Catalog No: AG002BT3 MDL No:
Product Description
Catalog Number:
AG002BT3
Chemical Name:
Benzoic acid, 2-bromo-, phenyl ester
CAS Number:
1989-22-6
Molecular Formula:
C13H9BrO2
Molecular Weight:
277.1134
IUPAC Name:
phenyl 2-bromobenzoate
InChI:
InChI=1S/C13H9BrO2/c14-12-9-5-4-8-11(12)13(15)16-10-6-2-1-3-7-10/h1-9H
InChI Key:
SNOWYPDEJVKXAG-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1Br)Oc1ccccc1
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.979g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.117g/mol
Monoisotopic Mass:
275.979g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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