AG01A9BJ

Name: 1-(Isothiocyanatomethyl)-3-(trifluoromethyl)benzene
Brand: Angene Chemical
SKU: AG01A9BJ

2740-85-4 | 1-(Isothiocyanatomethyl)-3-(trifluoromethyl)benzene

AG01A9BJ

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WARNING This product is not for human or veterinary use.

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CAS Number	2740-85-4
Catalog Number	AG01A9BJ(AGN-PC-00002F)
Chemical Name	1-(Isothiocyanatomethyl)-3-(trifluoromethyl)benzene
IUPAC Name	1-(isothiocyanatomethyl)-3-(trifluoromethyl)benzene
InChI	InChI=1S/C9H6F3NS/c10-9(11,12)8-3-1-2-7(4-8)5-13-6-14/h1-4H,5H2
InChI Key	ROXHCSQEJLPTSB-UHFFFAOYSA-N
MDL Number	MFCD06740512
Molecular Formula	C9H6F3NS
Molecular Weight	217.2108
SMILES	C1=CC(=CC(=C1)C(F)(F)F)CN=C=S
Synonyms	1-(isothiocyanatomethyl)-3-(trifluoromethyl)benzene, 2740-85-4, CHEMBL3409228, 1-isothiocyanatomethyl-3-trifluoromethyl-benzene, AC1Q4IWM, SCHEMBL2340843, BDBM50073734, MFCD06740512, ZINC19840552, AKOS000212044, NE30673, (3-Isothiocyanatomethyl)benzotrifluoride, EN300-64646,

Complexity	233
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	217.017g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	217.209g/mol
Monoisotopic Mass	217.017g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	44.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.5

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