AG00CKUU

335349-57-0 | 5-Chloro-4-iodo-2-nitroaniline

AG00CKUU

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CAS Number	335349-57-0
Catalog Number	AG00CKUU(AGN-PC-0WAMWK)
Chemical Name	5-Chloro-4-iodo-2-nitroaniline
IUPAC Name	5-chloro-4-iodo-2-nitroaniline
InChI	InChI=1S/C6H4ClIN2O2/c7-3-1-5(9)6(10(11)12)2-4(3)8/h1-2H,9H2
InChI Key	KWHURWOGZQWLTK-UHFFFAOYSA-N
MDL Number	MFCD14706094
Molecular Formula	C6H4ClIN2O2
Molecular Weight	298.4656
SMILES	NC1=C(C=C(I)C(Cl)=C1)[N+]([O-])=O
Synonyms	5-Chloro-4-iodo-2-nitroaniline, 335349-57-0, 5-Chloro-4-iodo-2-nitro-phenylamine, AK-87422, C6H4ClIN2O2, SCHEMBL1291755, CTK8C1103, DTXSID40624688, KWHURWOGZQWLTK-UHFFFAOYSA-N, ANW-65885, MFCD14706094, ZINC85221118, AKOS016005576, FCH1387687, AS-18680, AJ-126888, AX8236550, TC-154630, CS-0060133, X0281, Z-8437, 5-chloro-4-iodo-2-nitrobenzenamine,

Complexity	187
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	297.901g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	298.464g/mol
Monoisotopic Mass	297.901g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	71.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H317
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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