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2,2'-Oxydianiline

CAT: 0926-FO142847-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0926-FO142847-01Size:1 g
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CAS Number
24878-25-9
MDL Number
MFCD00792533
Smiles
C1=CC=C (C (=C1) N) OC2=CC=CC=C2N
Molecular Formula
C12H12N2O
Molecular Weight
200.24 g/mol
Controlled
No

Chemical Information

2,2'-Oxydianiline
CAS Number24878-25-9
PubChem CID458824
IUPAC Name2-(2-aminophenoxy)aniline
Molecular FormulaC12H12N2O
Molecular Weight200.24
XLogP1.8
Topological Polar Surface Area61.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity178
SMILES
C1=CC=C(C(=C1)N)OC2=CC=CC=C2N
InChI
InChI=1S/C12H12N2O/c13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)14/h1-8H,13-14H2
InChIKey
GOJFAKBEASOYNM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,2'-Oxydianiline
CAS: 24878-25-9
CID: 458824
Formula: C12H12N2O
MW: 200.24
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight200.24
XLogP31.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass200.094963011
Monoisotopic Mass200.094963011
Topological Polar Surface Area61.3 Ų
Heavy Atom Count15
Formal Charge0
Complexity178
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes