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87977-51-3 | Benzene, 1,1'-[3-(azidomethyl)-1-propene-1,3-diyl]bis-
CAS No: 87977-51-3 Catalog No: AG004OUQ MDL No:
Product Description
Catalog Number:
AG004OUQ
Chemical Name:
Benzene, 1,1'-[3-(azidomethyl)-1-propene-1,3-diyl]bis-
CAS Number:
87977-51-3
Molecular Formula:
C16H15N3
Molecular Weight:
249.3104
IUPAC Name:
(1-azido-4-phenylbut-3-en-2-yl)benzene
InChI:
InChI=1S/C16H15N3/c17-19-18-13-16(15-9-5-2-6-10-15)12-11-14-7-3-1-4-8-14/h1-12,16H,13H2
InChI Key:
QHWNLBPJEXQSGL-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=NCC(c1ccccc1)C=Cc1ccccc1
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.127g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.317g/mol
Monoisotopic Mass:
249.127g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
14.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
5.2
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