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94089-09-5 | 4-(DIETHYLAMINO)-2-FLUOROBENZALDEHYDE NAPHTHALEN-1-YLPHENYLHYDRAZONE
CAS No: 94089-09-5 Catalog No: AG006S3E MDL No:
Product Description
Catalog Number:
AG006S3E
Chemical Name:
4-(DIETHYLAMINO)-2-FLUOROBENZALDEHYDE NAPHTHALEN-1-YLPHENYLHYDRAZONE
CAS Number:
94089-09-5
Molecular Formula:
C27H26FN3
Molecular Weight:
411.5138
IUPAC Name:
N-[[4-(diethylamino)-2-fluorophenyl]methylideneamino]-N-phenylnaphthalen-1-amine
InChI:
InChI=1S/C27H26FN3/c1-3-30(4-2)24-18-17-22(26(28)19-24)20-29-31(23-13-6-5-7-14-23)27-16-10-12-21-11-8-9-15-25(21)27/h5-20H,3-4H2,1-2H3
InChI Key:
YXDPHFMZUXCOOE-UHFFFAOYSA-N
SMILES:
CCN(c1ccc(c(c1)F)C=NN(c1cccc2c1cccc2)c1ccccc1)CC
EC Number:
302-111-2
Properties
Complexity:
557
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
411.211g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
411.524g/mol
Monoisotopic Mass:
411.211g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
18.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
7.4
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