AG001MXU

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CAS Number	15089-77-7
Catalog Number	AG001MXU(AGN-PC-00MUX3)
Chemical Name	4,5-Dimethyl-2-nitrobenzonitrile
IUPAC Name	4,5-dimethyl-2-nitrobenzonitrile
InChI	InChI=1S/C9H8N2O2/c1-6-3-8(5-10)9(11(12)13)4-7(6)2/h3-4H,1-2H3
InChI Key	KMXMOTHNWNJKBR-UHFFFAOYSA-N
MDL Number	MFCD09999861
Molecular Formula	C9H8N2O2
Molecular Weight	176.1720
SMILES	CC1=C(C)C=C([N+]([O-])=O)C(C#N)=C1
Synonyms	4,5-DIMETHYL-2-NITROBENZONITRILE, 15089-77-7, SCHEMBL5291433, 2-Nitro-4,5-dimethylbenzonitrile, KMXMOTHNWNJKBR-UHFFFAOYSA-N, ZINC34077494, AKOS027271268, Benzonitrile, 4,5-dimethyl-2-nitro-, MCULE-4319263663, NE38674, SC-36684, Z1675167203, 2,3-dimethyl-6-nitrobenzonitrile,

Complexity	250
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	176.059g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	176.175g/mol
Monoisotopic Mass	176.059g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	69.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

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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