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C.I.Azoic Coupling Component 10

CAT: 0926-FA41321-02Size: 25 gDry Ice: NoHazardous: No
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CAT#:0926-FA41321-02Size:25 g
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CAS Number
92-78-4
MDL Number
MFCD00021639
Smiles
C1=CC=C2C=C (C (=CC2=C1) C (=O) NC3=CC=C (C=C3) Cl) O
Molecular Formula
C17H12ClNO2
Molecular Weight
297.74 g/mol
Controlled
No

Chemical Information

4'-Chloro-3-hydroxy-2-naphthanilide
CAS Number92-78-4
PubChem CID66720
IUPAC NameN-(4-chlorophenyl)-3-hydroxynaphthalene-2-carboxamide
Molecular FormulaC17H12ClNO2
Molecular Weight297.7
XLogP4.8
Topological Polar Surface Area49.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count21
Formal Charge0
Complexity368
SMILES
C1=CC=C2C=C(C(=CC2=C1)C(=O)NC3=CC=C(C=C3)Cl)O
InChI
InChI=1S/C17H12ClNO2/c18-13-5-7-14(8-6-13)19-17(21)15-9-11-3-1-2-4-12(11)10-16(15)20/h1-10,20H,(H,19,21)
InChIKey
OHAXNCGNVGGWSO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4'-Chloro-3-hydroxy-2-naphthanilide
CAS: 92-78-4
CID: 66720
Formula: C17H12ClNO2
MW: 297.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight297.7
XLogP34.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass297.0556563
Monoisotopic Mass297.0556563
Topological Polar Surface Area49.3 Ų
Heavy Atom Count21
Formal Charge0
Complexity368
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

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