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6993-97-1 | ethyl 4-[(1e)-3,3-bis(2-fluoroethyl)triaz-1-en-1-yl]benzoate
CAS No: 6993-97-1 Catalog No: AG005H1H MDL No:
Product Description
Catalog Number:
AG005H1H
Chemical Name:
ethyl 4-[(1e)-3,3-bis(2-fluoroethyl)triaz-1-en-1-yl]benzoate
CAS Number:
6993-97-1
Molecular Formula:
C13H17F2N3O2
Molecular Weight:
285.2898
IUPAC Name:
ethyl 4-[[bis(2-fluoroethyl)amino]diazenyl]benzoate
InChI:
InChI=1S/C13H17F2N3O2/c1-2-20-13(19)11-3-5-12(6-4-11)16-17-18(9-7-14)10-8-15/h3-6H,2,7-10H2,1H3
InChI Key:
HNYVZMLJKPUMMQ-UHFFFAOYSA-N
SMILES:
FCCN(/N=N/c1ccc(cc1)C(=O)OCC)CCF
NSC Number:
82363
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.129g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.295g/mol
Monoisotopic Mass:
285.129g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
54.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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