Lasmiditan Impurity 56

CAT: 1299-RM-L263056-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-L263056-01Size:10 mg

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CAS Number

1798748-69-2

Synonyms

2,6-dichloro-4-fluorobenzamide

Molecular Formula

C7H4Cl2FNO

Molecular Weight

208.01

Target Alternative Name

Lasmiditan

Chemical Information

2,6-Dichloro-4-fluorobenzamide

CAS Number	1798748-69-2
PubChem CID	68941784
IUPAC Name	2,6-dichloro-4-fluorobenzamide
Molecular Formula	C7H4Cl2FNO
Molecular Weight	208.01
XLogP	2.2
Topological Polar Surface Area	43.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	178

SMILES

C1=C(C=C(C(=C1Cl)C(=O)N)Cl)F

InChI

InChI=1S/C7H4Cl2FNO/c8-4-1-3(10)2-5(9)6(4)7(11)12/h1-2H,(H2,11,12)

InChIKey

CWKGBEFRQOIUPK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1798748-69-2

CID: 68941784

Formula: C7H4Cl2FNO

MW: 208.01

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	208.01
XLogP3	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	206.9653973
Monoisotopic Mass	206.9653973
Topological Polar Surface Area	43.1 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	178
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