KG-501 5mg

CAT: 0628-A19375-5Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0628-A19375-5Size:5 mg

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CAS Number

18228-17-6

Chemical Information

Naphtholas-ephosphate

structure in first source

CAS Number	18228-17-6
PubChem CID	87517
IUPAC Name	[3-[(4-chlorophenyl)carbamoyl]naphthalen-2-yl] dihydrogen phosphate
Molecular Formula	C17H13ClNO5P
Molecular Weight	377.7
XLogP	3
Topological Polar Surface Area	95.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	25
Formal Charge	0
Complexity	519

SMILES

C1=CC=C2C=C(C(=CC2=C1)C(=O)NC3=CC=C(C=C3)Cl)OP(=O)(O)O

InChI

InChI=1S/C17H13ClNO5P/c18-13-5-7-14(8-6-13)19-17(20)15-9-11-3-1-2-4-12(11)10-16(15)24-25(21,22)23/h1-10H,(H,19,20)(H2,21,22,23)

InChIKey

RQAQWBFHPMSXKR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 18228-17-6

CID: 87517

Formula: C17H13ClNO5P

MW: 377.7

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	377.7
XLogP3	3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	377.0219872
Monoisotopic Mass	377.0219872
Topological Polar Surface Area	95.9 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	519
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