AG0000RL

Name: Benzonitrile, 3-bromo-4-isothiocyanato-
Brand: Angene Chemical
SKU: AG0000RL

1000577-91-2 | Benzonitrile, 3-bromo-4-isothiocyanato-

AG0000RL

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CAS Number	1000577-91-2
Catalog Number	AG0000RL(AGN-PC-0WA883)
Chemical Name	Benzonitrile, 3-bromo-4-isothiocyanato-
IUPAC Name	3-bromo-4-isothiocyanatobenzonitrile
InChI	InChI=1S/C8H3BrN2S/c9-7-3-6(4-10)1-2-8(7)11-5-12/h1-3H
InChI Key	TXSYSARBLBVCHQ-UHFFFAOYSA-N
MDL Number	MFCD09800816
Molecular Formula	C8H3BrN2S
Molecular Weight	239.0918
SMILES	BrC=1C=C(C#N)C=CC1N=C=S
Synonyms	1000577-91-2, 3-Bromo-4-Isothiocyanato-Benzonitrile, 2-Bromo-4-cyanophenylisothiocyanate, 2-bromo-4-cyanophenyl isothiocyanate, 3-bromo-4-isothiocyanatobenzonitrile, KSC005Q2T, CTK9A5829, KS-00000YNE, DTXSID40650225, ZINC15443843, AKOS024438207, CS-W000349, FS-6426, Benzonitrile, 3-bromo-4-isothiocyanato-,

Complexity	251
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	237.92g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	239.09g/mol
Monoisotopic Mass	237.92g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	68.2A^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