AG00BDYV

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COA

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CAS Number	2131-62-6
Catalog Number	AG00BDYV(AGN-PC-0JOH0I)
Chemical Name	4-Carboxyphenyl isothiocyanate
IUPAC Name	4-isothiocyanatobenzoic acid
InChI	InChI=1S/C8H5NO2S/c10-8(11)6-1-3-7(4-2-6)9-5-12/h1-4H,(H,10,11)
InChI Key	RBEFRYQKJYMLCC-UHFFFAOYSA-N
MDL Number	MFCD00041369
Molecular Formula	C8H5NO2S
Molecular Weight	179.1958
NSC Number	52064
SMILES	S=C=Nc1ccc(cc1)C(=O)O
Synonyms	4-carboxy-phenyl-isothiocyanate, 4-ICBA, 4-isothiocyanatobenzoic acid, 4-isothiocyanatobenzoic acid, sodium salt, 4-Carboxyphenyl isothiocyanate, 4-Isothiocyanatobenzoic acid, 2131-62-6, 4-carboxyphenylisothiocyanate, 4-Icba, Benzoic acid,4-isothiocyanato-, Benzoic acid, 4-isothiocyanato-, p-isothiocyanatobenzoic acid, RBEFRYQKJYMLCC-UHFFFAOYSA-N, AC1L6AIG, AC1Q7EWJ, p-Isothiocyanato-benzoesaure, 4-carboxyphenyl-isothiocyanate, SCHEMBL455561, 4-Isothiocyanatobenzoic acid #, CHEBI:64464, CTK4E6450, DTXSID90175579, NSC52064, ZINC1683794, 7236AD, MFCD00041369, NSC 52064, NSC-52064, STL301219, AKOS006223640, FS-5763, MCULE-7548839727, VZ28664, SC-54584, DB-045543, TR-033208, FT-0634054, I09-2371, J-013988, C8H5NO2S, AR-1G3007, CID242946, 4-Carboxyphenyl isothiocyanate, 97% - 1G 1g, 24379-94-0,

Complexity	215
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	179.004g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	179.193g/mol
Monoisotopic Mass	179.004g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	81.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.5

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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