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898760-42-4

898760-42-4 | 3-(3-Bromophenyl)-3'-chloro-4'-fluoropropiophenone

CAS No: 898760-42-4 Catalog No: AG01EYTW MDL No:

Product Description

Catalog Number:
AG01EYTW
Chemical Name:
3-(3-Bromophenyl)-3'-chloro-4'-fluoropropiophenone
CAS Number:
898760-42-4
Molecular Formula:
C15H11BrClFO
Molecular Weight:
341.6026
IUPAC Name:
3-(3-bromophenyl)-1-(3-chloro-4-fluorophenyl)propan-1-one
InChI:
InChI=1S/C15H11BrClFO/c16-12-3-1-2-10(8-12)4-7-15(19)11-5-6-14(18)13(17)9-11/h1-3,5-6,8-9H,4,7H2
InChI Key:
FVYYNBGXRAFGPU-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)CCC(=O)c1ccc(c(c1)Cl)F

Properties

Complexity:
313  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.967g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
341.604g/mol
Monoisotopic Mass:
339.967g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9  

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