MitoBloCK-10

CAT: 0127-BUP03074-05Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP03074-05Size:100 mg

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CAS Number

394694-98-5

Synonyms

3-fluoro-N'-[ (E) - (5-nitrothiophen-2-yl) m

Purity

=98%

Smiles

[O-][N+](=O)c1ccc(\C=N\NC(=O)c2cccc(F)c2)s1

Chemical Information

MitoBloCK-10

CAS Number	394694-98-5
PubChem CID	6895129
IUPAC Name	3-fluoro-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]benzamide
Molecular Formula	C12H8FN3O3S
Molecular Weight	293.28
XLogP	3.1
Topological Polar Surface Area	116
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Heavy Atom Count	20
Formal Charge	0
Complexity	402

SMILES

C1=CC(=CC(=C1)F)C(=O)N/N=C/C2=CC=C(S2)[N+](=O)[O-]

InChI

InChI=1S/C12H8FN3O3S/c13-9-3-1-2-8(6-9)12(17)15-14-7-10-4-5-11(20-10)16(18)19/h1-7H,(H,15,17)/b14-7+

InChIKey

QDYQZMWFIYLMNX-VGOFMYFVSA-N

Chemical Structure

2D Structure

CAS: 394694-98-5

CID: 6895129

Formula: C12H8FN3O3S

MW: 293.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	293.28
XLogP3	3.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	293.02704046
Monoisotopic Mass	293.02704046
Topological Polar Surface Area	116 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	402
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
BUP13240-01	MitoBloCK-6
BUP07132-01	MitoBloCK-11 (MB-11)
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OR1066815-01	Methyl 10-chloro-10-oxodecanoate
OR1059005-01	10-Amino-10-oxodecanoic acid
OR1052012-01	10-Methyl-9,10-dihydroacridine
OR92573-01	10- (Benzyloxy) -10-oxodecanoic acid
OR53111-01	9,10-Dihydro-9-oxa-10-phosphaphenanthrene 10-oxide