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1443305-58-5 | 3-Fluoro-4-[(4-methylpiperazino)methyl]benzaldehyde
CAS No: 1443305-58-5 Catalog No: AG01F8T6 MDL No:
Product Description
Catalog Number:
AG01F8T6
Chemical Name:
3-Fluoro-4-[(4-methylpiperazino)methyl]benzaldehyde
CAS Number:
1443305-58-5
Molecular Formula:
C13H17FN2O
Molecular Weight:
236.2853
IUPAC Name:
3-fluoro-4-[(4-methylpiperazin-1-yl)methyl]benzaldehyde
InChI:
InChI=1S/C13H17FN2O/c1-15-4-6-16(7-5-15)9-12-3-2-11(10-17)8-13(12)14/h2-3,8,10H,4-7,9H2,1H3
InChI Key:
UKJAOLGWSWDSHF-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)F)CN1CCN(CC1)C
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.132g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.29g/mol
Monoisotopic Mass:
236.132g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
23.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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