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746651-79-6 | 3-BROMO-4'CARBOETHOXYBENZOPHENONE
CAS No: 746651-79-6 Catalog No: AG005IHR MDL No:
Product Description
Catalog Number:
AG005IHR
Chemical Name:
3-BROMO-4'CARBOETHOXYBENZOPHENONE
CAS Number:
746651-79-6
Molecular Formula:
C16H13BrO3
Molecular Weight:
333.1766
IUPAC Name:
ethyl 4-(3-bromobenzoyl)benzoate
InChI:
InChI=1S/C16H13BrO3/c1-2-20-16(19)12-8-6-11(7-9-12)15(18)13-4-3-5-14(17)10-13/h3-10H,2H2,1H3
InChI Key:
SUSROWJLKMKIOP-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1)C(=O)c1cccc(c1)Br
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.005g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
333.181g/mol
Monoisotopic Mass:
332.005g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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