Mitoblock-11

CAT: 0926-NRA60616-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-NRA60616-01Size:10 mg

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CAS Number

413606-16-3

Smiles

C1=CC=C2C (=C1) C (=CC=C2Br) OCC (=O) NN=CC3=CC=C (S3) [N+] (=O) [O-]

Molecular Formula

C17H12BrN3O4S

Molecular Weight

434.3 g/mol

Controlled

Chemical Information

2-(4-bromonaphthalen-1-yl)oxy-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]acetamide

CAS Number	413606-16-3
PubChem CID	6894988
IUPAC Name	2-(4-bromonaphthalen-1-yl)oxy-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]acetamide
Molecular Formula	C17H12BrN3O4S
Molecular Weight	434.3
XLogP	5
Topological Polar Surface Area	125
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Heavy Atom Count	26
Formal Charge	0
Complexity	545

SMILES

C1=CC=C2C(=C1)C(=CC=C2Br)OCC(=O)N/N=C/C3=CC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C17H12BrN3O4S/c18-14-6-7-15(13-4-2-1-3-12(13)14)25-10-16(22)20-19-9-11-5-8-17(26-11)21(23)24/h1-9H,10H2,(H,20,22)/b19-9+

InChIKey

WINFLSGAKLBJTB-DJKKODMXSA-N

Chemical Structure

2D Structure

CAS: 413606-16-3

CID: 6894988

Formula: C17H12BrN3O4S

MW: 434.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	434.3
XLogP3	5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	432.97319
Monoisotopic Mass	432.97319
Topological Polar Surface Area	125 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	545
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

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