AG00159W

121554-10-7 | Benzonitrile, 5-bromo-2-iodo-

AG00159W

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CAS Number	121554-10-7
Catalog Number	AG00159W(AGN-PC-0LW97D)
Chemical Name	Benzonitrile, 5-bromo-2-iodo-
IUPAC Name	5-bromo-2-iodobenzonitrile
InChI	InChI=1S/C7H3BrIN/c8-6-1-2-7(9)5(3-6)4-10/h1-3H
InChI Key	JIGKPMMZNMQXDL-UHFFFAOYSA-N
MDL Number	MFCD00672950
Molecular Formula	C7H3BrIN
Molecular Weight	307.9139
SMILES	N#Cc1cc(Br)ccc1I
Synonyms	5-Bromo-2-iodobenzonitrile, 121554-10-7, Benzonitrile, 5-bromo-2-iodo-, 5-bromo-2-iodobenzenecarbonitrile, 2-IODO-5-BROMOBENZONITRILE, MFCD00672950, 2-CYANO-5-BROMO-1-IODOBENZENE, AK-32405, 5-Bromo-2-Iodobenzonitrile, 98+%, PubChem3790, AC1ODU3S, ACMC-1CIR6, 5-Bromo-2-iodo-benzonitrile, KSC493S3B, SCHEMBL142523, CTK3J3930, KS-00000YZQ, DTXSID30427307, JIGKPMMZNMQXDL-UHFFFAOYSA-N, ACT00534, ZINC2567828, ZX-AT008750, ANW-17752, OR9599, SBB064618, AKOS015834756, AM61304, AS03706, CS-W008515, DS-1630, FCH1322692, MCULE-3972399001, RTR-003515, TRA0168277, AC-26113, AJ-41487, BBV-40198529, BC002595, BR-32405, CJ-09805, SC-88901, AB0030850, AX8102759, DB-000412, ST2411801, TR-003515, 4CH-006564, FT-0620097, ST51040076, X3109, A-5503, A21024, I01-5267, C7H3BrIN, ZINC02567828, CID7020874, B2215, 5-Bromo-2-iodobenzonitrile, 98% - 1G 1g,

Complexity	162
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	306.849g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	307.916g/mol
Monoisotopic Mass	306.849g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H312-H332
Packing Group	Ⅲ
Precautionary statements	P280
Signal Words	warning
UN Code	UN 3276

Certificate of Analysis

Lot Number