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94089-11-9 | 2-CHLORO-4-(PYRROLIDIN-1-YL)BENZALDEHYDE NAPHTHALEN-1-YLPHENYLHYDRAZONE
CAS No: 94089-11-9 Catalog No: AG006874 MDL No:
Product Description
Catalog Number:
AG006874
Chemical Name:
2-CHLORO-4-(PYRROLIDIN-1-YL)BENZALDEHYDE NAPHTHALEN-1-YLPHENYLHYDRAZONE
CAS Number:
94089-11-9
Molecular Formula:
C27H24ClN3
Molecular Weight:
425.9526
IUPAC Name:
N-[(2-chloro-4-pyrrolidin-1-ylphenyl)methylideneamino]-N-phenylnaphthalen-1-amine
InChI:
InChI=1S/C27H24ClN3/c28-26-19-24(30-17-6-7-18-30)16-15-22(26)20-29-31(23-11-2-1-3-12-23)27-14-8-10-21-9-4-5-13-25(21)27/h1-5,8-16,19-20H,6-7,17-18H2
InChI Key:
OPFRXUONNBFUCF-UHFFFAOYSA-N
SMILES:
Clc1cc(ccc1C=NN(c1cccc2c1cccc2)c1ccccc1)N1CCCC1
EC Number:
302-113-3
Properties
Complexity:
583
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
425.166g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
425.96g/mol
Monoisotopic Mass:
425.166g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
18.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
7.7
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