AG0030DB

30491-74-8 | Benzenamine, 5-(4-aminophenoxy)-2-nitro-

AG0030DB

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CAS Number	30491-74-8
Catalog Number	AG0030DB(AGN-PC-00NN6Z)
Chemical Name	Benzenamine, 5-(4-aminophenoxy)-2-nitro-
IUPAC Name	5-(4-aminophenoxy)-2-nitroaniline
InChI	InChI=1S/C12H11N3O3/c13-8-1-3-9(4-2-8)18-10-5-6-12(15(16)17)11(14)7-10/h1-7H,13-14H2
InChI Key	ZHELWQKSRPWTPN-UHFFFAOYSA-N
MDL Number	MFCD15072156
Molecular Formula	C12H11N3O3
Molecular Weight	245.2340
SMILES	O=[N+](C1=CC=C(OC2=CC=C(N)C=C2)C=C1N)[O-]
Synonyms	30491-74-8, 3,4'-Diamino-4-nitrodiphenyl Ether, 5-(4-aminophenoxy)-2-nitroaniline, Benzenamine, 5-(4-aminophenoxy)-2-nitro-, SCHEMBL5348283, DTXSID00547208, MFCD15072156, ZINC34129528, D3675,

Complexity	287
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	245.08g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	245.238g/mol
Monoisotopic Mass	245.08g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	107A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H370
Packing Group	Ⅲ
Precautionary statements	P260-P264-P270-P307+P311-P405-P501
UN Code	UN 2811

Certificate of Analysis

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