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898760-61-7 | 3-(3-Bromophenyl)-2'-chloro-4'-fluoropropiophenone
CAS No: 898760-61-7 Catalog No: AG01EYU4 MDL No:
Product Description
Catalog Number:
AG01EYU4
Chemical Name:
3-(3-Bromophenyl)-2'-chloro-4'-fluoropropiophenone
CAS Number:
898760-61-7
Molecular Formula:
C15H11BrClFO
Molecular Weight:
341.6026
IUPAC Name:
3-(3-bromophenyl)-1-(2-chloro-4-fluorophenyl)propan-1-one
InChI:
InChI=1S/C15H11BrClFO/c16-11-3-1-2-10(8-11)4-7-15(19)13-6-5-12(18)9-14(13)17/h1-3,5-6,8-9H,4,7H2
InChI Key:
UTFCDXMZFUHIOB-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)Cl)C(=O)CCc1cccc(c1)Br
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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