Morniflumate

CAT: 0024-sc-358370ASize: 100 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-358370ASize:100 mg

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CAS Number

65847-85-0

Chemical Information

Morniflumate

Morniflumate is a member of (trifluoromethyl)benzenes.

CAS Number	65847-85-0
PubChem CID	72106
IUPAC Name	2-morpholin-4-ylethyl 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate
Molecular Formula	C19H20F3N3O3
Molecular Weight	395.4
XLogP	3.7
Topological Polar Surface Area	63.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	7
Heavy Atom Count	28
Formal Charge	0
Complexity	501

SMILES

C1COCCN1CCOC(=O)C2=C(N=CC=C2)NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C19H20F3N3O3/c20-19(21,22)14-3-1-4-15(13-14)24-17-16(5-2-6-23-17)18(26)28-12-9-25-7-10-27-11-8-25/h1-6,13H,7-12H2,(H,23,24)

InChIKey

LDXSPUSKBDTEKA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 65847-85-0

CID: 72106

Formula: C19H20F3N3O3

MW: 395.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	395.4
XLogP3	3.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	7
Exact Mass	395.14567599
Monoisotopic Mass	395.14567599
Topological Polar Surface Area	63.7 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	501
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