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29412-77-9 | 2-Butanone, 3-chloro-1-(3-fluorophenyl)-
CAS No: 29412-77-9 Catalog No: AG002YAN MDL No:
Product Description
Catalog Number:
AG002YAN
Chemical Name:
2-Butanone, 3-chloro-1-(3-fluorophenyl)-
CAS Number:
29412-77-9
Molecular Formula:
C10H10ClFO
Molecular Weight:
200.6372
IUPAC Name:
3-chloro-1-(3-fluorophenyl)butan-2-one
InChI:
InChI=1S/C10H10ClFO/c1-7(11)10(13)6-8-3-2-4-9(12)5-8/h2-5,7H,6H2,1H3
InChI Key:
VEFABHUBWUDJPR-UHFFFAOYSA-N
SMILES:
O=C(C(Cl)C)Cc1cccc(c1)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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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