AG008N80

Name: 4-Fluorobenzoyl isothiocyanate
Brand: Angene Chemical
SKU: AG008N80

78225-74-8 | 4-Fluorobenzoyl isothiocyanate

AG008N80

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CAS Number	78225-74-8
Catalog Number	AG008N80(AGN-PC-0JOKYD)
Chemical Name	4-Fluorobenzoyl isothiocyanate
IUPAC Name	4-fluorobenzoyl isothiocyanate
InChI	InChI=1S/C8H4FNOS/c9-7-3-1-6(2-4-7)8(11)10-5-12/h1-4H
InChI Key	GZMSWUYBYCVYKI-UHFFFAOYSA-N
MDL Number	MFCD12188706
Molecular Formula	C8H4FNOS
Molecular Weight	181.1869
NSC Number	67049
SMILES	O=C(N=C=S)C1=CC=C(F)C=C1
Synonyms	4-fluorobenzoyl isothiocyanate, 78225-74-8, NSC67049, AC1L6NPQ, AC1Q4LYT, SCHEMBL572232, CTK5E5543, DTXSID60290147, GZMSWUYBYCVYKI-UHFFFAOYSA-N, Benzoyl isothiocyanate, 4-fluoro-, ZINC1694174, GEO-02521, NSC-67049, AKOS009075021, NE39447, 4-Fluoro-1-benzenecarbonyl isothiocyanate, EN300-21908, CID249089,

Complexity	217
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	181g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	181.184g/mol
Monoisotopic Mass	181g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	61.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

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