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Home > Aldehydes > 136476-26-1
136476-26-1 | Benzaldehyde, 2-[1-(trifluoromethyl)ethenyl]-
CAS No: 136476-26-1 Catalog No: AG0011W7 MDL No:
Product Description
Catalog Number:
AG0011W7
Chemical Name:
Benzaldehyde, 2-[1-(trifluoromethyl)ethenyl]-
CAS Number:
136476-26-1
Molecular Formula:
C10H7F3O
Molecular Weight:
200.1572
IUPAC Name:
2-(3,3,3-trifluoroprop-1-en-2-yl)benzaldehyde
InChI:
InChI=1S/C10H7F3O/c1-7(10(11,12)13)9-5-3-2-4-8(9)6-14/h2-6H,1H2
InChI Key:
SCHHJDUMTGSBBB-UHFFFAOYSA-N
SMILES:
O=Cc1ccccc1C(=C)C(F)(F)F
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
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:
3.3
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