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1267955-34-9 | 3'-Chloro-4'-fluorobutyrophenone
CAS No: 1267955-34-9 Catalog No: AG01FEMH MDL No:
Product Description
Catalog Number:
AG01FEMH
Chemical Name:
3'-Chloro-4'-fluorobutyrophenone
CAS Number:
1267955-34-9
Molecular Formula:
C10H10ClFO
Molecular Weight:
200.6372
IUPAC Name:
1-(3-chloro-4-fluorophenyl)butan-1-one
InChI:
InChI=1S/C10H10ClFO/c1-2-3-10(13)7-4-5-9(12)8(11)6-7/h4-6H,2-3H2,1H3
InChI Key:
FCXPRIVQUOCAAC-UHFFFAOYSA-N
SMILES:
CCCC(=O)c1ccc(c(c1)Cl)F
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.04g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.637g/mol
Monoisotopic Mass:
200.04g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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