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4-[ (4-Aminophenyl) azo]phenol

CAT: 0926-AAA10318Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-AAA10318Size:100 mg
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CAS Number
103-18-4
MDL Number
MFCD01707824
Smiles
C1=CC (=CC=C1N) N=NC2=CC=C (C=C2) O
Molecular Formula
C12H11N3O
Molecular Weight
213.23 g/mol
Controlled
No

Chemical Information

4-Amino-4'-hydroxyazobenzene
CAS Number103-18-4
PubChem CID7640
IUPAC Name4-[(4-aminophenyl)diazenyl]phenol
Molecular FormulaC12H11N3O
Molecular Weight213.23
XLogP3.1
Topological Polar Surface Area71
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity228
SMILES
C1=CC(=CC=C1N)N=NC2=CC=C(C=C2)O
InChI
InChI=1S/C12H11N3O/c13-9-1-3-10(4-2-9)14-15-11-5-7-12(16)8-6-11/h1-8,16H,13H2
InChIKey
NCKPQOUTAMSEAO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Amino-4'-hydroxyazobenzene
CAS: 103-18-4
CID: 7640
Formula: C12H11N3O
MW: 213.23
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight213.23
XLogP33.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass213.090211983
Monoisotopic Mass213.090211983
Topological Polar Surface Area71 Ų
Heavy Atom Count16
Formal Charge0
Complexity228
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