BF-168

CAT: 0926-JAB91147-04Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-JAB91147-04Size:50 mg

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CAS Number

634911-47-0

MDL Number

MFCD16038148

Smiles

CNC1=CC=C (C=C1) C=CC2=NC3=C (O2) C=C (C=C3) OCCF

Molecular Formula

C18H17FN2O2

Molecular Weight

312.3 g/mol

Controlled

Chemical Information

6-(2-Fluoroethoxy)-2-(2-(4-methylaminophenil)ethenyl)benzoxazole

binds senile plaques in brain with Alzheimer's; structure in first source

CAS Number	634911-47-0
PubChem CID	10244995
IUPAC Name	4-[(E)-2-[6-(2-fluoroethoxy)-1,3-benzoxazol-2-yl]ethenyl]-N-methylaniline
Molecular Formula	C18H17FN2O2
Molecular Weight	312.3
XLogP	4.4
Topological Polar Surface Area	47.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	23
Formal Charge	0
Complexity	385

SMILES

CNC1=CC=C(C=C1)/C=C/C2=NC3=C(O2)C=C(C=C3)OCCF

InChI

InChI=1S/C18H17FN2O2/c1-20-14-5-2-13(3-6-14)4-9-18-21-16-8-7-15(22-11-10-19)12-17(16)23-18/h2-9,12,20H,10-11H2,1H3/b9-4+

InChIKey

FJCPWUDGNYOGQR-RUDMXATFSA-N

Chemical Structure

2D Structure

CAS: 634911-47-0

CID: 10244995

Formula: C18H17FN2O2

MW: 312.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	312.3
XLogP3	4.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	312.12740595
Monoisotopic Mass	312.12740595
Topological Polar Surface Area	47.3 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	385
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
LPA48660-01	BF-DPB
EGC50635-01	BF 544
VIB64780-01	BF 227
FD32914-01	Direct black 168
CRB1001396-01	HS1 protein (160-168)
PM17051-01	Murine CMV pp 89 (168-176)
FM109053-01	MAGE-3 Antigen (168-176) (human) acetate salt
FT109687-01	TIMP-2 (145-168) (human, bovine) trifluoroacetate salt
ZHA93416-01	UCL 1684