AG0070YH

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CAS Number	13401-57-5
Catalog Number	AG0070YH(AGN-PC-0NGBEI)
Chemical Name	3-chloro-2,2-dimethylpropanal
IUPAC Name	3-chloro-2,2-dimethylpropanal
InChI	InChI=1S/C5H9ClO/c1-5(2,3-6)4-7/h4H,3H2,1-2H3
InChI Key	ITSRYBRMKMEYHL-UHFFFAOYSA-N
MDL Number	MFCD19232108
Molecular Formula	C5H9ClO
Molecular Weight	120.5774
SMILES	CC(C=O)(CCl)C
Synonyms	3-chloro-2,2-dimethylpropanal, 13401-57-5, Propanal, 3-chloro-2,2-dimethyl-, 3-chloro-2,2-dimethylpropionaldehyde, SCHEMBL514036, CTK0F4542, DTXSID40456042, ZINC38281945, AKOS006387752, NE18070, 3-chloro-2,2-dimethyl-propanal, CID11126235,

Complexity	68.5
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	120.034g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	120.576g/mol
Monoisotopic Mass	120.034g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

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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