3-Phenoxyaniline

CAT: 0127-OR322008-01Size: 5 gDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR322008-01Size:5 g

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

3586-12-7

MDL Number

MFCD00041891

Purity

98%

Smiles

Nc1cccc(Oc2ccccc2)c1

Chemical Information

3-Phenoxyaniline

CAS Number	3586-12-7
PubChem CID	77135
IUPAC Name	3-phenoxyaniline
Molecular Formula	C12H11NO
Molecular Weight	185.22
XLogP	3.2
Topological Polar Surface Area	35.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	14
Formal Charge	0
Complexity	166

SMILES

C1=CC=C(C=C1)OC2=CC=CC(=C2)N

InChI

InChI=1S/C12H11NO/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h1-9H,13H2

InChIKey

UCSYVYFGMFODMY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3586-12-7

CID: 77135

Formula: C12H11NO

MW: 185.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	185.22
XLogP3	3.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	185.084063974
Monoisotopic Mass	185.084063974
Topological Polar Surface Area	35.3 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	166
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
OR1071904-01	3-Chloro-4-phenoxyaniline
OR1099358-01	3-methyl-4-phenoxyaniline
PC410050-01	3-Fluoro-4-phenoxyaniline
OR6677	4-Phenoxyaniline
PC410113	3-Fluoro-4-phenoxyaniline hydrochloride
BUP22732-01	3-CHLORO-4-PHENOXYANILINE HYDROCHLORIDE
OR91782-01	5-Methoxy-2-phenoxyaniline
PC1025475-01	2-fluoro-6-phenoxyaniline
OR1099780-01	4-methyl-2-phenoxyaniline
OR1098306	5-Bromo-2-phenoxyaniline