2-Nitro-5-phenoxyaniline

CAT: 0127-OR96885-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR96885-01Size:250 mg

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CAS Number

1552-17-6

Purity

99%

Smiles

NC1=CC(OC2=CC=CC=C2)=CC=C1[N+]([O-])=O

Chemical Information

2-Nitro-5-phenoxyaniline

CAS Number	1552-17-6
PubChem CID	2760187
IUPAC Name	2-nitro-5-phenoxyaniline
Molecular Formula	C12H10N2O3
Molecular Weight	230.22
XLogP	2.7
Topological Polar Surface Area	81.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	17
Formal Charge	0
Complexity	261

SMILES

C1=CC=C(C=C1)OC2=CC(=C(C=C2)[N+](=O)[O-])N

InChI

InChI=1S/C12H10N2O3/c13-11-8-10(6-7-12(11)14(15)16)17-9-4-2-1-3-5-9/h1-8H,13H2

InChIKey

DYTVCSKPYOHQAE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1552-17-6

CID: 2760187

Formula: C12H10N2O3

MW: 230.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	230.22
XLogP3	2.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	230.06914219
Monoisotopic Mass	230.06914219
Topological Polar Surface Area	81.1 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	261
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
sc-478044	4-Nitro-2-phenoxyaniline
FKC15085-01	2-Nitro-3-phenoxyaniline
sc-478555	4-Nitro-2-phenoxyaniline-d5
JH914509	5-Methoxy-2-phenoxyaniline
NZA66201-01	5-Fluoro-2-phenoxyaniline
CAA17291-01	5-Methyl-2-phenoxyaniline
sc-230624	2-Phenoxyaniline
RGA10079-01	5-Methyl-2-phenoxyaniline hydrochloride
D458995	2,5-Diisopropyl-4-phenoxyaniline
HY-W501172R	2-Methoxy-5-phenoxyaniline (Standard)