AG001XLO

Name: 4-Methoxybenzoyl isothiocyanate
Brand: Angene Chemical
SKU: AG001XLO

16778-84-0 | 4-Methoxybenzoyl isothiocyanate

AG001XLO

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CAS Number	16778-84-0
Catalog Number	AG001XLO(AGN-PC-0JMR5A)
Chemical Name	4-Methoxybenzoyl isothiocyanate
IUPAC Name	4-methoxybenzoyl isothiocyanate
InChI	InChI=1S/C9H7NO2S/c1-12-8-4-2-7(3-5-8)9(11)10-6-13/h2-5H,1H3
InChI Key	BEVJYGOHGKVXJI-UHFFFAOYSA-N
MDL Number	MFCD00060379
Molecular Formula	C9H7NO2S
Molecular Weight	193.2224
SMILES	C1C=C(C(=O)N=C=S)C=CC=1OC
Synonyms	4-Methoxybenzoyl isothiocyanate, 16778-84-0, Benzoyl isothiocyanate,4-methoxy-, 4-Methoxybenzoylisothiocyanate, BEVJYGOHGKVXJI-UHFFFAOYSA-N, AC1L3GBA, SCHEMBL1031217, CTK4D2763, DTXSID40168370, Benzoyl isothiocyanate, 4-methoxy-, ZINC2528093, 5383AD, MFCD00060379, AKOS009074988, FS-4615, BP-12965, 4-Methoxy-1-benzenecarbonyl isothiocyanate, DB-043714, TR-007273, FT-0637427, Y-8755, J-010396, I01-14579, C9H7NO2S, CID140136, ZINC02528093,

Complexity	228
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	193.02g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	193.22g/mol
Monoisotopic Mass	193.02g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	70.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

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