AG01AMR9

Name: methyl 5-chloro-2-isothiocyanatobenzoate
Brand: Angene Chemical
SKU: AG01AMR9

342623-32-9 | methyl 5-chloro-2-isothiocyanatobenzoate

AG01AMR9

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CAS Number	342623-32-9
Catalog Number	AG01AMR9
Chemical Name	methyl 5-chloro-2-isothiocyanatobenzoate
IUPAC Name	methyl 5-chloro-2-isothiocyanatobenzoate
InChI	InChI=1S/C9H6ClNO2S/c1-13-9(12)7-4-6(10)2-3-8(7)11-5-14/h2-4H,1H3
InChI Key	DDZWTFVIWHBHTJ-UHFFFAOYSA-N
MDL Number	MFCD22557681
Molecular Formula	C9H6ClNO2S
Molecular Weight	227.6674
SMILES	COC(C1=C(N=C=S)C=CC(Cl)=C1)=O
Synonyms	methyl 5-chloro-2-isothiocyanatobenzoate, 342623-32-9, HTS009194, AKOS030211561, ZINC169676218,

Complexity	266
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	226.981g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	227.662g/mol
Monoisotopic Mass	226.981g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	70.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.8

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