AG00DHY7

5459-50-7 | 2-iodo-5-nitro-aniline

AG00DHY7

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CAS Number	5459-50-7
Catalog Number	AG00DHY7(AGN-PC-0JO8G4)
Chemical Name	2-iodo-5-nitro-aniline
IUPAC Name	2-iodo-5-nitroaniline
InChI	InChI=1S/C6H5IN2O2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H,8H2
InChI Key	VKQOHFHGWCXKOA-UHFFFAOYSA-N
MDL Number	MFCD16877042
Molecular Formula	C6H5IN2O2
Molecular Weight	264.0206
NSC Number	24060
SMILES	NC1=C(I)C=CC(=C1)[N+]([O-])=O
Synonyms	2-iodo-5-nitroaniline, 5459-50-7, 2-iodo-5-nitro-aniline, Benzenamine, 2-iodo-5-nitro-, 2-Iodo-5-nitro-phenylamine, NSC24060, AC1L5IGY, AC1Q4PHS, Benzenamine,2-iodo-5-nitro-, CHEMBL107093, SCHEMBL10173065, CTK5A1842, DTXSID10282072, ZINC1608858, 7907AB, ANW-65027, MFCD16877042, NSC-24060, AKOS016005041, FCH1348892, AC-24715, AJ-28183, AK103189, AN-16348, AS-10562, SC-27773, AB0185779, AX8234728, TC-153772, CS-0060328, FT-0731126, Z-8494, 459I507, 2-iodo-5-nitroBenzenamine, C6H5IN2O2, AR-1E2832, CID229959, 63187-30-4,

Complexity	159
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	263.94g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	264.022g/mol
Monoisotopic Mass	263.94g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	71.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

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

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