NDI-091143 50mg

CAT: 0628-A22596-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0628-A22596-50Size:50 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

2375840-87-0

Chemical Information

Ndi-091143

Structure in source; No chemical name available.

CAS Number	2375840-87-0
PubChem CID	137796782
IUPAC Name	methyl 3-chloro-5-[(2,4-difluoro-5-phenylphenyl)sulfamoyl]-4-hydroxybenzoate
Molecular Formula	C20H14ClF2NO5S
Molecular Weight	453.8
XLogP	4.9
Topological Polar Surface Area	101
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	6
Heavy Atom Count	30
Formal Charge	0
Complexity	700

SMILES

COC(=O)C1=CC(=C(C(=C1)Cl)O)S(=O)(=O)NC2=C(C=C(C(=C2)C3=CC=CC=C3)F)F

InChI

InChI=1S/C20H14ClF2NO5S/c1-29-20(26)12-7-14(21)19(25)18(8-12)30(27,28)24-17-9-13(15(22)10-16(17)23)11-5-3-2-4-6-11/h2-10,24-25H,1H3

InChIKey

YSTSHUWHIDBZAK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2375840-87-0

CID: 137796782

Formula: C20H14ClF2NO5S

MW: 453.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	453.8
XLogP3	4.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	6
Exact Mass	453.0249277
Monoisotopic Mass	453.0249277
Topological Polar Surface Area	101 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	700
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
MBS3610756-01	NDI-091143