AG00EBAE

Name: 3-Fluorobenzyl isothiocyanate
Brand: Angene Chemical
SKU: AG00EBAE

63351-94-0 | 3-Fluorobenzyl isothiocyanate

AG00EBAE

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CAS Number	63351-94-0
Catalog Number	AG00EBAE(AGN-PC-0KK8EZ)
Chemical Name	3-Fluorobenzyl isothiocyanate
IUPAC Name	1-fluoro-3-(isothiocyanatomethyl)benzene
InChI	InChI=1S/C8H6FNS/c9-8-3-1-2-7(4-8)5-10-6-11/h1-4H,5H2
InChI Key	CCKNPKNHNFDGND-UHFFFAOYSA-N
MDL Number	MFCD00060406
Molecular Formula	C8H6FNS
Molecular Weight	167.2033
SMILES	S=C=NCc1cccc(c1)F
Synonyms	3-Fluorobenzyl isothiocyanate, 63351-94-0, 1-fluoro-3-(isothiocyanatomethyl)benzene, 3-Fluorobenzylisothiocyanate, Benzene,1-fluoro-3-(isothiocyanatomethyl)-, CHEMBL3409227, AC1MC71O, SCHEMBL1551628, CTK5B8763, DTXSID80371962, CCKNPKNHNFDGND-UHFFFAOYSA-N, (3-fluorophenyl)methanisothiocyanate, ZINC2528111, 3-(Isothiocyanatomethyl)fluorobenzene, BDBM50073663, MFCD00060406, SBB088089, AKOS000343429, FS-4130, SC-62489, 1-fluoranyl-3-(isothiocyanatomethyl)benzene, DB-054461, TR-021818, FT-0615726, Y-9428, A834341, I01-15380, ZINC02528111, CID2737275,

Complexity	166
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	167.02g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	167.201g/mol
Monoisotopic Mass	167.02g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	44.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.7

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