AG017CU6

Name: 4-Fluoro-3-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}aniline
Brand: Angene Chemical
SKU: AG017CU6

940242-26-2 | 4-Fluoro-3-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}aniline

AG017CU6

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CAS Number	940242-26-2
Catalog Number	AG017CU6(AGN-PC-0WBQD3)
Chemical Name	4-Fluoro-3-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}aniline
IUPAC Name	4-fluoro-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)aniline
InChI	InChI=1S/C13H15FN4/c14-11-6-5-9(15)8-10(11)13-17-16-12-4-2-1-3-7-18(12)13/h5-6,8H,1-4,7,15H2
InChI Key	ZZBFIMROWBQANF-UHFFFAOYSA-N
MDL Number	MFCD09388793
Molecular Formula	C13H15FN4
Molecular Weight	246.2834
SMILES	NC1=CC(C2N3C(CCCCC3)=NN=2)=C(F)C=C1
Synonyms	4-fluoro-3-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}aniline, 940242-26-2, 4-fluoro-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)aniline, AC1Q51LD, CTK7D6398, ZINC12505635, AKOS009127495, MCULE-7187930693, NE25823, EN300-27730, F8889-9175, Z235346267,

Complexity	288
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	246.128g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	246.289g/mol
Monoisotopic Mass	246.128g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	56.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited