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83783-51-1 | 2-Propenal,3-chloro-3-(4-fluorophenyl)-2-methyl-
CAS No: 83783-51-1 Catalog No: AG004WPG MDL No:
Product Description
Catalog Number:
AG004WPG
Chemical Name:
2-Propenal,3-chloro-3-(4-fluorophenyl)-2-methyl-
CAS Number:
83783-51-1
Molecular Formula:
C10H8ClFO
Molecular Weight:
198.6213
IUPAC Name:
(Z)-3-chloro-3-(4-fluorophenyl)-2-methylprop-2-enal
InChI:
InChI=1S/C10H8ClFO/c1-7(6-13)10(11)8-2-4-9(12)5-3-8/h2-6H,1H3/b10-7-
InChI Key:
HMNBSALOXVFVGK-YFHOEESVSA-N
SMILES:
O=CC(=C(c1ccc(cc1)F)Cl)C
EC Number:
280-785-6
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
198.025g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.621g/mol
Monoisotopic Mass:
198.025g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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