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Naphthol AS-MX acetate

CAT: 0926-EN70265-01Size: 2 gDry Ice: NoHazardous: No
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CAT#:0926-EN70265-01Size:2 g
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CAS Number
4569-00-0
MDL Number
MFCD00036181
Smiles
CC1=CC (=C (C=C1) NC (=O) C2=CC3=CC=CC=C3C=C2OC (=O) C) C
Molecular Formula
C21H19NO3
Molecular Weight
333.38 g/mol
Controlled
No

Chemical Information

2-[N-(2,4-Dimethylphenyl)carbamoyl]-3-naphthyl acetate
CAS Number4569-00-0
PubChem CID78324
IUPAC Name[3-[(2,4-dimethylphenyl)carbamoyl]naphthalen-2-yl] acetate
Molecular FormulaC21H19NO3
Molecular Weight333.4
XLogP4.5
Topological Polar Surface Area55.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity492
SMILES
CC1=CC(=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C=C2OC(=O)C)C
InChI
InChI=1S/C21H19NO3/c1-13-8-9-19(14(2)10-13)22-21(24)18-11-16-6-4-5-7-17(16)12-20(18)25-15(3)23/h4-12H,1-3H3,(H,22,24)
InChIKey
FMPROMIJBCXFNJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[N-(2,4-Dimethylphenyl)carbamoyl]-3-naphthyl acetate
CAS: 4569-00-0
CID: 78324
Formula: C21H19NO3
MW: 333.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight333.4
XLogP34.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass333.13649347
Monoisotopic Mass333.13649347
Topological Polar Surface Area55.4 Ų
Heavy Atom Count25
Formal Charge0
Complexity492
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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Alternative Products

CatalogName
A9086-100Naphthol AS-MX phosphate
HY-W713875-01Naphthol AS-MX phosphate disodium salt
23821-24Naphthol AS-MX Phosphate, free acid
sc-396829Naphthol AS Acetate
N01120Naphthol-AS-acetate
sc-250551Naphthol AS-D acetate
sc-215541Naphthol AS-OL acetate
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N01133-01Naphthol AS-D acetate 97%
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