FIDAS-3

CAT: 0607-BA9106-1Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0607-BA9106-1Size:1 mg

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

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CAS Number

1266684-01-8

Form

A solid

Molecular Formula

C16H15F2N

Molecular Weight

259.29

Shipping Conditions

Blue ice

Storage Conditions

4°C, protect from light.

Chemical Information

Fidas-3

CAS Number	1266684-01-8
PubChem CID	51039205
IUPAC Name	4-[(E)-2-(2,6-difluorophenyl)ethenyl]-N,N-dimethylaniline
Molecular Formula	C16H15F2N
Molecular Weight	259.29
XLogP	4.5
Topological Polar Surface Area	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	19
Formal Charge	0
Complexity	285

SMILES

CN(C)C1=CC=C(C=C1)/C=C/C2=C(C=CC=C2F)F

InChI

InChI=1S/C16H15F2N/c1-19(2)13-9-6-12(7-10-13)8-11-14-15(17)4-3-5-16(14)18/h3-11H,1-2H3/b11-8+

InChIKey

YBJDCOLXJYDHOM-DHZHZOJOSA-N

Chemical Structure

2D Structure

CAS: 1266684-01-8

CID: 51039205

Formula: C16H15F2N

MW: 259.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	259.29
XLogP3	4.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	259.11725581
Monoisotopic Mass	259.11725581
Topological Polar Surface Area	3.2 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	285
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RAC68401-01	FIDAS-3
MBS3846741-01	FIDAS-5