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1645-30-3 | Benzoic acid, 2-fluoro-, 2-(4-bromophenyl)-2-oxoethyl ester
CAS No: 1645-30-3 Catalog No: AG001UXD MDL No:
Product Description
Catalog Number:
AG001UXD
Chemical Name:
Benzoic acid, 2-fluoro-, 2-(4-bromophenyl)-2-oxoethyl ester
CAS Number:
1645-30-3
Molecular Formula:
C15H10BrFO3
Molecular Weight:
337.1405
IUPAC Name:
[2-(4-bromophenyl)-2-oxoethyl] 2-fluorobenzoate
InChI:
InChI=1S/C15H10BrFO3/c16-11-7-5-10(6-8-11)14(18)9-20-15(19)12-3-1-2-4-13(12)17/h1-8H,9H2
InChI Key:
IHLBMPXALSKGPK-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)C(=O)COC(=O)c1ccccc1F
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.98g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
337.144g/mol
Monoisotopic Mass:
335.98g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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