AG001XPY

Name: 4-Chlorobenzoyl isothiocyanate
Brand: Angene Chemical
SKU: AG001XPY

16794-67-5 | 4-Chlorobenzoyl isothiocyanate

AG001XPY

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CAS Number	16794-67-5
Catalog Number	AG001XPY(AGN-PC-0JO9XT)
Chemical Name	4-Chlorobenzoyl isothiocyanate
IUPAC Name	4-chlorobenzoyl isothiocyanate
InChI	InChI=1S/C8H4ClNOS/c9-7-3-1-6(2-4-7)8(11)10-5-12/h1-4H
InChI Key	OTZBZZNWOAIAEN-UHFFFAOYSA-N
MDL Number	MFCD00041104
Molecular Formula	C8H4ClNOS
Molecular Weight	197.6415
NSC Number	29260
SMILES	ClC1=CC=C(C(N=C=S)=O)C=C1
Synonyms	4-chlorobenzoyl isothiocyanate, 16794-67-5, Benzoyl isothiocyanate,4-chloro-, 4-Chlorobenzoylisothiocyanate, OTZBZZNWOAIAEN-UHFFFAOYSA-N, NSC29260, p-Chlorbenzoylisothiocyanat, AC1L5NA2, AC1Q5BP1, p-chlorobenzoyl isothiocyanate, 4-Chlorobenzoyl-isothiocyanate, SCHEMBL199868, CTK4D2819, DTXSID70283040, Benzoyl isothiocyanate, 4-chloro-, HMS1787H13, ZINC1652070, 5389AD, MFCD00041104, NSC-29260, AKOS001058078, VZ28841, (4-chlorophenyl)-isothiocyanatomethanone, (4-chlorophenyl)-isothiocyanato-methanone, 4-chloro-1-benzenecarbonyl isothiocyanate, BP-12891, CJ-26733, SC-76126, DB-043722, TR-007284, FT-0637428, A810923, I01-14237, C8H4ClNOS, AR-1G1785, CID232162, 20320-20-1,

Complexity	217
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	196.97g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	197.636g/mol
Monoisotopic Mass	196.97g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	61.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.8

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