Home Halogens 3-bromo-4-(3-chloro-2-fluorophenyl)butan-2-one

3-bromo-4-(3-chloro-2-fluorophenyl)butan-2-one

CAS No.:
1251242-72-4
Catalog Number:
AG01BERB
Molecular Formula:
C10H9BrClFO
Molecular Weight:
279.5333
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Product Description
Catalog Number:
AG01BERB
Chemical Name:
3-bromo-4-(3-chloro-2-fluorophenyl)butan-2-one
CAS Number:
1251242-72-4
Molecular Formula:
C10H9BrClFO
Molecular Weight:
279.5333
MDL Number:
MFCD16748640
IUPAC Name:
3-bromo-4-(3-chloro-2-fluorophenyl)butan-2-one
InChI:
InChI=1S/C10H9BrClFO/c1-6(14)8(11)5-7-3-2-4-9(12)10(7)13/h2-4,8H,5H2,1H3
InChI Key:
CAHFUTMAQPFOIO-UHFFFAOYSA-N
SMILES:
CC(=O)C(Cc1cccc(c1F)Cl)Br
Properties
Complexity:
212  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.951g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.533g/mol
Monoisotopic Mass:
277.951g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties