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Home > Fluorides > 1170613-81-6
1170613-81-6 | 1-Penten-3-one, 1-(4-fluorophenyl)-2-methyl-, (1E)-
CAS No: 1170613-81-6 Catalog No: AG000DMX MDL No:
Product Description
Catalog Number:
AG000DMX
Chemical Name:
1-Penten-3-one, 1-(4-fluorophenyl)-2-methyl-, (1E)-
CAS Number:
1170613-81-6
Molecular Formula:
C12H13FO
Molecular Weight:
192.2294
IUPAC Name:
(E)-1-(4-fluorophenyl)-2-methylpent-1-en-3-one
InChI:
InChI=1S/C12H13FO/c1-3-12(14)9(2)8-10-4-6-11(13)7-5-10/h4-8H,3H2,1-2H3/b9-8+
InChI Key:
RPCACXRYSFIMIA-CMDGGOBGSA-N
SMILES:
CCC(=O)/C(=C/c1ccc(cc1)F)/C
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
192.095g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.233g/mol
Monoisotopic Mass:
192.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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