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41317-83-3 | 4-Trifluoromethylcinnamaldehyde
CAS No: 41317-83-3 Catalog No: AG0072C6 MDL No:
Product Description
Catalog Number:
AG0072C6
Chemical Name:
4-Trifluoromethylcinnamaldehyde
CAS Number:
41317-83-3
Molecular Formula:
C10H7F3O
Molecular Weight:
200.1572
IUPAC Name:
(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enal
InChI:
InChI=1S/C10H7F3O/c11-10(12,13)9-5-3-8(4-6-9)2-1-7-14/h1-7H/b2-1+
InChI Key:
HYCDCKWWJCPUNT-OWOJBTEDSA-N
SMILES:
O=CC=Cc1ccc(cc1)C(F)(F)F
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
200.045g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.16g/mol
Monoisotopic Mass:
200.045g/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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