4- (4-Nitrophenylazo) orcinol

CAT: 0127-OR1077892Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR1077892Size:1 g

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CAS Number

607-96-5

Synonyms

4-Nitrobenzene-azo-orcinol / 4- (4-Nitrophenylazo) -5-methylresorcinol

MDL Number

MFCD00014710

Purity

>80.0%

Smiles

CC1=CC (=CC (=C1N=NC2=CC=C (C=C2) [N+] (=O) [O-]) O) O

Chemical Information

5-Methyl-4-(4-nitrophenylazo)resorcinol

CAS Number	607-96-5
PubChem CID	69095
IUPAC Name	5-methyl-4-[(4-nitrophenyl)diazenyl]benzene-1,3-diol
Molecular Formula	C13H11N3O4
Molecular Weight	273.24
XLogP	3.2
Topological Polar Surface Area	111
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Heavy Atom Count	20
Formal Charge	0
Complexity	363

SMILES

CC1=CC(=CC(=C1N=NC2=CC=C(C=C2)[N+](=O)[O-])O)O

InChI

InChI=1S/C13H11N3O4/c1-8-6-11(17)7-12(18)13(8)15-14-9-2-4-10(5-3-9)16(19)20/h2-7,17-18H,1H3

InChIKey

XDOOUKIUNUWEFT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 607-96-5

CID: 69095

Formula: C13H11N3O4

MW: 273.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	273.24
XLogP3	3.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	273.07495584
Monoisotopic Mass	273.07495584
Topological Polar Surface Area	111 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	363
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1011149-01	4- (4-Nitrophenylazo) Resorcinol
OR1055304-01	4- (4-Nitrophenylazo) phenol
OR1011148-01	4- (4-Nitrophenylazo) Resorcinol
OR1011147	4-(4-Nitrophenylazo)-1-Naphthol
OR1011146-01	4- (4-Nitrophenylazo) -1-Naphthol
OR1008955-01	1- (4-Nitrophenylazo) -2-Naphthol
BUP19127	Orcinol
BUP00155-01	Orcinol glucoside
OR1008954-01	1- (4-Methyl-2-Nitrophenylazo) -2-Naphthol
BUP01461-01	Orcinol gentiobioside

Catalog	Name
sc-485692	4- (4-Nitrophenylazo) orcinol
GT9017-100g	4- (4-Nitrophenylazo) resorcinol
233671-01	4 (p-Nitrophenylazo) resorcinol
sc-487192	4- (4-Nitrophenylazo) phenol
429234-01	4- (4-Nitrophenylazo) -1-naphthol
C14173	Orcinol
N10720	4- (p-Nitrophenylazo) -1-Naphthol