AG003L22

5446-05-9 | 4-Chloro-1-iodo-2-nitrobenzene

AG003L22

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CAS Number	5446-05-9
Catalog Number	AG003L22(AGN-PC-0JO67X)
Chemical Name	4-Chloro-1-iodo-2-nitrobenzene
IUPAC Name	4-chloro-1-iodo-2-nitrobenzene
InChI	InChI=1S/C6H3ClINO2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H
InChI Key	ZLQFWQOAQQBLLZ-UHFFFAOYSA-N
MDL Number	MFCD11226294
Molecular Formula	C6H3ClINO2
Molecular Weight	283.4510
NSC Number	17163
SMILES	O=[N+](C1=CC(Cl)=CC=C1I)[O-]
Synonyms	4-chloro-1-iodo-2-nitrobenzene, 5446-05-9, 5-Chloro-2-iodonitrobenzene, Benzene, 4-chloro-1-iodo-2-nitro-, 1-Iodo-2-nitro-4-chlorobenzene, NSC17163, AC1Q1WZQ, AC1Q4PAP, ACMC-2097hq, AC1L5EV0, 2-Nitro-4-chloroiodobenzene, 2-Nitro-4-chlorophenyl iodide, SCHEMBL5157523, 4-choro-1-iode-2-nitrobenzene, CTK1H0069, KS-00000EOL, DTXSID90280495, ZLQFWQOAQQBLLZ-UHFFFAOYSA-N, 4-chloro-1-iodo-2-nitro-benzene, 4-Chloro-1 -Iodo-2-Nitrobenzene, ZINC1758366, ANW-13980, MFCD11226294, NSC-17163, AKOS009359248, CS-W022132, MCULE-1931813343, TRA0037473, AJ-31535, AS-19715, SY029974, ST2405692, TR-019258, FT-0708143, TL80074148, Y5126, EN300-39729, MFCD11226294 (97%), A-5696, C6H3ClINO2, AR-1G1472, CID226566, C2932, 10271-31-5,

Complexity	161
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	282.89g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	283.449g/mol
Monoisotopic Mass	282.89g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	45.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number