Naphthol AS-CL phosphate

CAT: 0926-EN67711-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0926-EN67711-01Size:1 g

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CAS Number

18228-16-5

MDL Number

MFCD00042715

Smiles

COC1=C (C=C (C=C1) Cl) NC (=O) C2=CC3=CC=CC=C3C=C2OP (=O) (O) O

Molecular Weight

407.74 g/mol

Controlled

Chemical Information

N-(5-Chloro-2-methoxyphenyl)-3-(phosphonooxy)naphthalene-2-carboxamide

CAS Number	18228-16-5
PubChem CID	87516
IUPAC Name	[3-[(5-chloro-2-methoxyphenyl)carbamoyl]naphthalen-2-yl] dihydrogen phosphate
Molecular Formula	C18H15ClNO6P
Molecular Weight	407.7
XLogP	2.9
Topological Polar Surface Area	105
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Heavy Atom Count	27
Formal Charge	0
Complexity	572

SMILES

COC1=C(C=C(C=C1)Cl)NC(=O)C2=CC3=CC=CC=C3C=C2OP(=O)(O)O

InChI

InChI=1S/C18H15ClNO6P/c1-25-16-7-6-13(19)10-15(16)20-18(21)14-8-11-4-2-3-5-12(11)9-17(14)26-27(22,23)24/h2-10H,1H3,(H,20,21)(H2,22,23,24)

InChIKey

AXMIMEOLDUCZOC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 18228-16-5

CID: 87516

Formula: C18H15ClNO6P

MW: 407.7

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	407.7
XLogP3	2.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	407.0325519
Monoisotopic Mass	407.0325519
Topological Polar Surface Area	105 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	572
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
FN52467-01	Naphthol AS phosphate
EN70036-01	Naphthol AS-TR phosphate
FN15225-01	Naphthol AS-BI-phosphate
FN46955-01	Naphthol AS-MX 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
EN70199-01	Naphthol AS-D
EN71191-01	Naphthol AS-OL