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Home > Aldehydes > 886500-73-8
886500-73-8 | 4-Pyrrolidin-1-yl-3-trifluoromethyl-benzaldehyde
CAS No: 886500-73-8 Catalog No: AG01EYED MDL No:
Product Description
Catalog Number:
AG01EYED
Chemical Name:
4-Pyrrolidin-1-yl-3-trifluoromethyl-benzaldehyde
CAS Number:
886500-73-8
Molecular Formula:
C12H12F3NO
Molecular Weight:
243.2250
IUPAC Name:
4-pyrrolidin-1-yl-3-(trifluoromethyl)benzaldehyde
InChI:
InChI=1S/C12H12F3NO/c13-12(14,15)10-7-9(8-17)3-4-11(10)16-5-1-2-6-16/h3-4,7-8H,1-2,5-6H2
InChI Key:
DLHHLKIFGLPASR-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)C(F)(F)F)N1CCCC1
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.087g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.229g/mol
Monoisotopic Mass:
243.087g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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