Naphthol AS-MX phosphate

CAT: 0926-FN46955-01Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0926-FN46955-01Size:500 mg

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CAS Number

1596-56-1

MDL Number

MFCD00042711

Smiles

CC1=CC (=C (C=C1) NC (=O) C2=CC3=CC=CC=C3C=C2OP (=O) (O) O) C

Molecular Formula

C19H18NO5P

Molecular Weight

371.32 g/mol

Controlled

Chemical Information

N-(2,4-Dimethylphenyl)-3-(phosphonooxy)-2-naphthalenecarboxamide

CAS Number	1596-56-1
PubChem CID	74136
IUPAC Name	[3-[(2,4-dimethylphenyl)carbamoyl]naphthalen-2-yl] dihydrogen phosphate
Molecular Formula	C19H18NO5P
Molecular Weight	371.3
XLogP	3.1
Topological Polar Surface Area	95.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	26
Formal Charge	0
Complexity	550

SMILES

CC1=CC(=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C=C2OP(=O)(O)O)C

InChI

InChI=1S/C19H18NO5P/c1-12-7-8-17(13(2)9-12)20-19(21)16-10-14-5-3-4-6-15(14)11-18(16)25-26(22,23)24/h3-11H,1-2H3,(H,20,21)(H2,22,23,24)

InChIKey

IOMLBTHPCVDRHM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1596-56-1

CID: 74136

Formula: C19H18NO5P

MW: 371.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	371.3
XLogP3	3.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	371.09225967
Monoisotopic Mass	371.09225967
Topological Polar Surface Area	95.9 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	550
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
FN32369-01	Naphthol AS-MX
EN70265-01	Naphthol AS-MX acetate
FN52467-01	Naphthol AS phosphate
EN70036-01	Naphthol AS-TR phosphate
EN67711-01	Naphthol AS-CL phosphate
FN15225-01	Naphthol AS-BI-phosphate
EN69791-01	Naphthol AS-E phosphate, 60%
FN52288-01	Naphthol As-Bi-Phosphate disodium
HIA56904	Naphthol aS-bi phosphate disodium hydrate
FN11184-01	1-Naphthol dihydrogen phosphate monosodium monohydrate

Catalog	Name
A9086-100	Naphthol AS-MX phosphate
HY-W713875-01	Naphthol AS-MX phosphate disodium salt
23821-24	Naphthol AS-MX Phosphate, free acid
285805-01	Naphthol AS phosphate
240838-01	Naphthol As-BI phosphate
sc-487557	Naphthol AS-TR Phosphate
GW0166-500mg	Naphthol AS-E phosphate