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1096809-56-1 | 5-fluoro-2-[methyl(2-methylbutyl)amino]benzaldehyde
CAS No: 1096809-56-1 Catalog No: AG01AIZD MDL No:MFCD11639803
Product Description
Catalog Number:
AG01AIZD
Chemical Name:
5-fluoro-2-[methyl(2-methylbutyl)amino]benzaldehyde
CAS Number:
1096809-56-1
Molecular Formula:
C13H18FNO
Molecular Weight:
223.2865
MDL Number:
MFCD11639803
IUPAC Name:
5-fluoro-2-[methyl(2-methylbutyl)amino]benzaldehyde
InChI:
InChI=1S/C13H18FNO/c1-4-10(2)8-15(3)13-6-5-12(14)7-11(13)9-16/h5-7,9-10H,4,8H2,1-3H3
InChI Key:
NUNWRCUUGSWTDA-UHFFFAOYSA-N
SMILES:
CCC(CN(c1ccc(cc1C=O)F)C)C
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.137g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.291g/mol
Monoisotopic Mass:
223.137g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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