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19240-65-4 | 2,4,6-Cycloheptatrien-1-one, 2-chloro-5-(2-phenyldiazenyl)-
CAS No: 19240-65-4 Catalog No: AG002FXH MDL No:
Product Description
Catalog Number:
AG002FXH
Chemical Name:
2,4,6-Cycloheptatrien-1-one, 2-chloro-5-(2-phenyldiazenyl)-
CAS Number:
19240-65-4
Molecular Formula:
C13H9ClN2O
Molecular Weight:
244.6764
IUPAC Name:
2-chloro-5-phenyldiazenylcyclohepta-2,4,6-trien-1-one
InChI:
InChI=1S/C13H9ClN2O/c14-12-8-6-11(7-9-13(12)17)16-15-10-4-2-1-3-5-10/h1-9H
InChI Key:
UBLRSCFAFOJFMP-UHFFFAOYSA-N
SMILES:
Clc1ccc(ccc1=O)N=Nc1ccccc1
NSC Number:
402099
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.04g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.678g/mol
Monoisotopic Mass:
244.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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