AG019O34

Name: 4-Chloro-3-oxo-2-(6,7,8,9-tetrahydro-5h-[1,2,4]triazolo[4,3-a]azepin-3-yl)butanenitrile
Brand: Angene Chemical
SKU: AG019O34

885524-11-8 | 4-Chloro-3-oxo-2-(6,7,8,9-tetrahydro-5h-[1,2,4]triazolo[4,3-a]azepin-3-yl)butanenitrile

AG019O34

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CAS Number	885524-11-8
Catalog Number	AG019O34
Chemical Name	4-Chloro-3-oxo-2-(6,7,8,9-tetrahydro-5h-[1,2,4]triazolo[4,3-a]azepin-3-yl)butanenitrile
IUPAC Name	4-chloro-3-oxo-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)butanenitrile
InChI	InChI=1S/C11H13ClN4O/c12-6-9(17)8(7-13)11-15-14-10-4-2-1-3-5-16(10)11/h8H,1-6H2
InChI Key	RBHUKKVETQBKJC-UHFFFAOYSA-N
MDL Number	MFCD06655390
Molecular Formula	C11H13ClN4O
Molecular Weight	252.7001
SMILES	ClCC(C(C1N2C(CCCCC2)=NN=1)C#N)=O
Synonyms	4-chloro-3-oxo-2-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}butanenitrile, EN300-12631, 4-chloro-3-oxo-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)butanenitrile, 885524-11-8, AC1NLPZ3, AC1Q3T8S, CTK6H4539, ZINC04205550, CID4962008,

Complexity	340
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	252.078g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	252.702g/mol
Monoisotopic Mass	252.078g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	71.6A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.8

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