AG01B8C3

Name: 3,5-Difluorobenzoyl isothiocyanate
Brand: Angene Chemical
SKU: AG01B8C3

926227-83-0 | 3,5-Difluorobenzoyl isothiocyanate

AG01B8C3

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CAS Number	926227-83-0
Catalog Number	AG01B8C3
Chemical Name	3,5-Difluorobenzoyl isothiocyanate
IUPAC Name	3,5-difluorobenzoyl isothiocyanate
InChI	InChI=1S/C8H3F2NOS/c9-6-1-5(2-7(10)3-6)8(12)11-4-13/h1-3H
InChI Key	NDVOIVNOHLKKGA-UHFFFAOYSA-N
MDL Number	MFCD09045910
Molecular Formula	C8H3F2NOS
Molecular Weight	199.1773
SMILES	FC1=CC(C(N=C=S)=O)=CC(F)=C1
Synonyms	3,5-DIFLUOROBENZOYL ISOTHIOCYANATE, 926227-83-0, Benzoyl isothiocyanate, 3,5-difluoro-, CTK8A7487, ZINC21963792, AKOS000129571,

Complexity	243
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	198.99g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	199.175g/mol
Monoisotopic Mass	198.99g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	61.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

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