AG001WDT

Name: 3-Nitro-4-(phenylamino)benzonitrile
Brand: Angene Chemical
SKU: AG001WDT

16588-23-1 | 3-Nitro-4-(phenylamino)benzonitrile

AG001WDT

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CAS Number	16588-23-1
Catalog Number	AG001WDT(AGN-PC-0KPH9U)
Chemical Name	3-Nitro-4-(phenylamino)benzonitrile
IUPAC Name	4-anilino-3-nitrobenzonitrile
InChI	InChI=1S/C13H9N3O2/c14-9-10-6-7-12(13(8-10)16(17)18)15-11-4-2-1-3-5-11/h1-8,15H
InChI Key	FEQBPFGUGQALQK-UHFFFAOYSA-N
MDL Number	MFCD00768956
Molecular Formula	C13H9N3O2
Molecular Weight	239.2295
SMILES	N#Cc1ccc(c(c1)[N+](=O)[O-])Nc1ccccc1
Synonyms	3-Nitro-4-(phenylamino)benzonitrile, 16588-23-1, AC1MJTNW, ACMC-209dtf, Oprea1_542359, 4-anilino-3-nitrobenzonitrile, SCHEMBL13610400, DTXSID90389457, 3-Nitro-4-phenylamino-benzonitrile, ZINC3897156, ANW-22177, MFCD00768956, AKOS000507346, Benzonitrile, 3-nitro-4-(phenylamino)-, AJ-47378, BAS 00758064, CJ-11207, TC-110922, V3670, B-8698, SR-01000311377, SR-01000311377-1, C13H9N3O2, ZINC03897156, CID3118069,

Complexity	338
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	239.069g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	239.234g/mol
Monoisotopic Mass	239.069g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	81.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited