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21172-31-6 | 2-(3-(Trifluoromethyl)phenyl)acetaldehyde
CAS No: 21172-31-6 Catalog No: AG007OWD MDL No:MFCD08703365
Product Description
Catalog Number:
AG007OWD
Chemical Name:
2-(3-(Trifluoromethyl)phenyl)acetaldehyde
CAS Number:
21172-31-6
Molecular Formula:
C9H7F3O
Molecular Weight:
188.1465
MDL Number:
MFCD08703365
IUPAC Name:
2-[3-(trifluoromethyl)phenyl]acetaldehyde
InChI:
InChI=1S/C9H7F3O/c10-9(11,12)8-3-1-2-7(6-8)4-5-13/h1-3,5-6H,4H2
InChI Key:
LFHOLZIJDWJFKT-UHFFFAOYSA-N
SMILES:
O=CCc1cccc(c1)C(F)(F)F
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.045g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.149g/mol
Monoisotopic Mass:
188.045g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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