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Home > Aldehydes > 893735-96-1
893735-96-1 | 4-[2-(Trifluoromethyl)phenyl]-2-thiophene carbaldehyde
CAS No: 893735-96-1 Catalog No: AG01EYM1 MDL No:
Product Description
Catalog Number:
AG01EYM1
Chemical Name:
4-[2-(Trifluoromethyl)phenyl]-2-thiophene carbaldehyde
CAS Number:
893735-96-1
Molecular Formula:
C12H7F3OS
Molecular Weight:
256.2436
IUPAC Name:
4-[2-(trifluoromethyl)phenyl]thiophene-2-carbaldehyde
InChI:
InChI=1S/C12H7F3OS/c13-12(14,15)11-4-2-1-3-10(11)8-5-9(6-16)17-7-8/h1-7H
InChI Key:
QNLQSGTZLKIEQY-UHFFFAOYSA-N
SMILES:
O=Cc1scc(c1)c1ccccc1C(F)(F)F
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.017g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.242g/mol
Monoisotopic Mass:
256.017g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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