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3110-52-9 | 1-Butanone, 4-chloro-1-(3-fluorophenyl)-
CAS No: 3110-52-9 Catalog No: AG00324K MDL No:MFCD02260552
Product Description
Catalog Number:
AG00324K
Chemical Name:
1-Butanone, 4-chloro-1-(3-fluorophenyl)-
CAS Number:
3110-52-9
Molecular Formula:
C10H10ClFO
Molecular Weight:
200.6372
MDL Number:
MFCD02260552
IUPAC Name:
4-chloro-1-(3-fluorophenyl)butan-1-one
InChI:
InChI=1S/C10H10ClFO/c11-6-2-5-10(13)8-3-1-4-9(12)7-8/h1,3-4,7H,2,5-6H2
InChI Key:
PLSCLNABOWDJKS-UHFFFAOYSA-N
SMILES:
ClCCCC(=O)c1cccc(c1)F
Properties
Complexity:
172
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:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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