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898782-24-6 | 3-(3-Bromophenyl)-4'-carboethoxypropiophenone
CAS No: 898782-24-6 Catalog No: AG01EYX8 MDL No:
Product Description
Catalog Number:
AG01EYX8
Chemical Name:
3-(3-Bromophenyl)-4'-carboethoxypropiophenone
CAS Number:
898782-24-6
Molecular Formula:
C18H17BrO3
Molecular Weight:
361.2298
IUPAC Name:
ethyl 4-[3-(3-bromophenyl)propanoyl]benzoate
InChI:
InChI=1S/C18H17BrO3/c1-2-22-18(21)15-9-7-14(8-10-15)17(20)11-6-13-4-3-5-16(19)12-13/h3-5,7-10,12H,2,6,11H2,1H3
InChI Key:
DMMKYFWMLMHMRB-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1)C(=O)CCc1cccc(c1)Br
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.036g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
361.235g/mol
Monoisotopic Mass:
360.036g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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