AG01AGBL

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CAS Number	13249-56-4
Catalog Number	AG01AGBL(AGN-PC-0417H2)
Chemical Name	4-Chloropentanenitrile
IUPAC Name	4-chloropentanenitrile
InChI	InChI=1S/C5H8ClN/c1-5(6)3-2-4-7/h5H,2-3H2,1H3
InChI Key	XUKFSXNWRWHCEQ-UHFFFAOYSA-N
MDL Number	MFCD21184641
Molecular Formula	C5H8ClN
Molecular Weight	117.5767
SMILES	ClC(CCC#N)C
Synonyms	4-chloropentanenitrile, 13249-56-4, 4-chloro-valeronitrile, 4-chlorovaleronitrile, SCHEMBL438136, XUKFSXNWRWHCEQ-UHFFFAOYSA-N, AKOS014572613, NE32215,

Complexity	81.3
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	117.035g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	117.576g/mol
Monoisotopic Mass	117.035g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.3

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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