AG008Z3V

1208076-28-1 | 5-Bromo-2-(trifluoromethyl)benzonitrile

AG008Z3V

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CAS Number	1208076-28-1
Catalog Number	AG008Z3V(AGN-PC-08XZ8H)
Chemical Name	5-Bromo-2-(trifluoromethyl)benzonitrile
IUPAC Name	5-bromo-2-(trifluoromethyl)benzonitrile
InChI	InChI=1S/C8H3BrF3N/c9-6-1-2-7(8(10,11)12)5(3-6)4-13/h1-3H
InChI Key	YXEMPTWEFRLPBY-UHFFFAOYSA-N
MDL Number	MFCD12026294
Molecular Formula	C8H3BrF3N
Molecular Weight	250.0153
SMILES	C(F)(F)(F)c1c(C#N)cc(cc1)Br
Synonyms	5-Bromo-2-(trifluoromethyl)benzonitrile, 1208076-28-1, 4-Bromo-2-cyanobenzotrifluoride, 5-BROMO-2-TRIFLUOROMETHYLBENZONITRILE, SCHEMBL662161, DTXSID10679246, YXEMPTWEFRLPBY-UHFFFAOYSA-N, KS-00000YZ8, ZX-AP010551, CL8224, MFCD12026294, ZINC36533229, AKOS005259692, AS05811, CM12993, FCH1409396, PC49178, AJ-93143, AK146294, AS-46001, QC-11758, SC-88694, AB0037742, AX8208816, Benzonitrile, 5-bromo-2-(trifluoromethyl)-, FT-0709365, Y5067, C8H3BrF3N, 1483-55-2,

Complexity	229
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	248.94g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	250.018g/mol
Monoisotopic Mass	248.94g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number