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116058-27-6 | Furan, 2-[4-(4-azidophenyl)-1,3-butadien-1-yl]-
CAS No: 116058-27-6 Catalog No: AG000BJ0 MDL No:
Product Description
Catalog Number:
AG000BJ0
Chemical Name:
Furan, 2-[4-(4-azidophenyl)-1,3-butadien-1-yl]-
CAS Number:
116058-27-6
Molecular Formula:
C14H11N3O
Molecular Weight:
237.2566
IUPAC Name:
2-[4-(4-azidophenyl)buta-1,3-dienyl]furan
InChI:
InChI=1S/C14H11N3O/c15-17-16-13-9-7-12(8-10-13)4-1-2-5-14-6-3-11-18-14/h1-11H
InChI Key:
PUZOZFCUZDDRLB-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=Nc1ccc(cc1)C=CC=Cc1ccco1
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.09g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.262g/mol
Monoisotopic Mass:
237.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
27.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
4.9
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