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263141-37-3 | 3-Buten-2-one, 3-(chloromethyl)-4-[4-(trifluoromethyl)phenyl]-, (3Z)-
CAS No: 263141-37-3 Catalog No: AG002SOM MDL No:
Product Description
Catalog Number:
AG002SOM
Chemical Name:
3-Buten-2-one, 3-(chloromethyl)-4-[4-(trifluoromethyl)phenyl]-, (3Z)-
CAS Number:
263141-37-3
Molecular Formula:
C12H10ClF3O
Molecular Weight:
262.6554
IUPAC Name:
3-(chloromethyl)-4-[4-(trifluoromethyl)phenyl]but-3-en-2-one
InChI:
InChI=1S/C12H10ClF3O/c1-8(17)10(7-13)6-9-2-4-11(5-3-9)12(14,15)16/h2-6H,7H2,1H3
InChI Key:
LPGJOPHGVDQDPV-UHFFFAOYSA-N
SMILES:
ClC/C(=C\c1ccc(cc1)C(F)(F)F)/C(=O)C
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.037g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.656g/mol
Monoisotopic Mass:
262.037g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.3
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