Bromoxynil

CAT: 1299-RG-A260583-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-A260583-02Size:25 mg

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CAS Number

1689-84-5

Synonyms

Bromoxynil

Molecular Formula

C7H3Br2NO

Molecular Weight

276.91

Product Name Synonym

Bromoxynil

Chemical Information

Bromoxynil

Bromoxynil can cause developmental toxicity according to state or federal government labeling requirements.

CAS Number	1689-84-5
PubChem CID	15531
IUPAC Name	3,5-dibromo-4-hydroxybenzonitrile
Molecular Formula	C7H3Br2NO
Molecular Weight	276.91
XLogP	3.5
Topological Polar Surface Area	44
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	11
Formal Charge	0
Complexity	176

SMILES

C1=C(C=C(C(=C1Br)O)Br)C#N

InChI

InChI=1S/C7H3Br2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H

InChIKey

UPMXNNIRAGDFEH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1689-84-5

CID: 15531

Formula: C7H3Br2NO

MW: 276.91

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	276.91
XLogP3	3.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	276.85609
Monoisotopic Mass	274.85814
Topological Polar Surface Area	44 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	176
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

Catalog	Name
FB19338-01	Bromoxynil
T39157-01	Bromoxynil octanoate
DAA86141-01	Bromoxynil butyrate
CS-AZ-00091	Bromoxynil-octanoate
AR-B07919-01	Bromoxynil Heptanoate
CS-AZ-00089	Bromoxynil-heptanoate
443526-01	Bromoxynil methyl ether
HY-136370R-01	Bromoxynil octanoate (Standard)
443525-01	Bromoxynil (Benzene-13C6)