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120103-14-2 | Benzenamine, 4-fluoro-N-[[4-(heptyloxy)phenyl]methylene]-, (E)- (9CI)
CAS No: 120103-14-2 Catalog No: AG000QBH MDL No:
Product Description
Catalog Number:
AG000QBH
Chemical Name:
Benzenamine, 4-fluoro-N-[[4-(heptyloxy)phenyl]methylene]-, (E)- (9CI)
CAS Number:
120103-14-2
Molecular Formula:
C20H24FNO
Molecular Weight:
313.4091
IUPAC Name:
N-(4-fluorophenyl)-1-(4-heptoxyphenyl)methanimine
InChI:
InChI=1S/C20H24FNO/c1-2-3-4-5-6-15-23-20-13-7-17(8-14-20)16-22-19-11-9-18(21)10-12-19/h7-14,16H,2-6,15H2,1H3
InChI Key:
MNIGJGZCKHQKGY-UHFFFAOYSA-N
SMILES:
CCCCCCCOc1ccc(cc1)/C=N/c1ccc(cc1)F
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.184g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.416g/mol
Monoisotopic Mass:
313.184g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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