AG001VG7

160892-07-9 | 1,3-Benzenedicarbonitrile, 5-bromo-

AG001VG7

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CAS Number	160892-07-9
Catalog Number	AG001VG7(AGN-PC-03FKDZ)
Chemical Name	1,3-Benzenedicarbonitrile, 5-bromo-
IUPAC Name	5-bromobenzene-1,3-dicarbonitrile
InChI	InChI=1S/C8H3BrN2/c9-8-2-6(4-10)1-7(3-8)5-11/h1-3H
InChI Key	KEODZYDOBHDZOT-UHFFFAOYSA-N
MDL Number	MFCD08061936
Molecular Formula	C8H3BrN2
Molecular Weight	207.0268
SMILES	N#Cc1cc(Br)cc(c1)C#N
Synonyms	5-Bromoisophthalonitrile, 160892-07-9, 5-Bromo-1,3-Benzenedicarbonitrile, 1,3-Benzenedicarbonitrile, 5-bromo-, 5-bromobenzene-1,3-dicarbonitrile, 5-bromo-isophthalonitrile, 1,3-Benzenedicarbonitrile,5-bromo-, AK-33529, PubChem22118, 3,5-dicyanobromobenzene, SCHEMBL504640, CTK4D0643, DTXSID50617980, 5-Bromo-13-Benzenedicarbonitrile, KEODZYDOBHDZOT-UHFFFAOYSA-N, KS-00000F1M, 6334AJ, MFCD08061936, ZINC40448501, AKOS015910612, AC-9445, CB-1844, CS-W003458, FCH1386297, LS11358, RL02064, AN-31069, AS-10407, BC004750, CJ-20155, SY028649, AB0047883, AJ-102778, AX8102524, DB-064378, ST2406175, 4CH-005237, AM20030080, FT-0645416, TL80090618, MFCD08061936 (95%), 892B079, J-516779, I14-40120, C8H3BrN2, ACN-025729,

Complexity	207
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	205.948g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	207.03g/mol
Monoisotopic Mass	205.948g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	47.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302+H312+H332
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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