WAY-200070

CAT: 0127-BUP11603-06Size: 200 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP11603-06Size:200 mg

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

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CAS Number

440122-66-7

Synonyms

WAY 200070

Purity

=98%

Smiles

BrC1=C2C(N=C(O2)C3=CC=C(O)C=C3)=CC(O)=C1

Chemical Information

Way-200070

a neuroprotective agent; structure in first source

CAS Number	440122-66-7
PubChem CID	135418373
IUPAC Name	7-bromo-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol
Molecular Formula	C13H8BrNO3
Molecular Weight	306.11
XLogP	3.4
Topological Polar Surface Area	66.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	18
Formal Charge	0
Complexity	296

SMILES

C1=CC(=CC=C1C2=NC3=C(O2)C(=CC(=C3)O)Br)O

InChI

InChI=1S/C13H8BrNO3/c14-10-5-9(17)6-11-12(10)18-13(15-11)7-1-3-8(16)4-2-7/h1-6,16-17H

InChIKey

BAAILVWEAXFTSF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 440122-66-7

CID: 135418373

Formula: C13H8BrNO3

MW: 306.11

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	306.11
XLogP3	3.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	304.96876
Monoisotopic Mass	304.96876
Topological Polar Surface Area	66.5 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	296
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