Bromoxynil Octanoate

CAT: 1596-AR-B07918-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-B07918-02Size:25 Units

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CAS Number

1689-99-2

Molecular Formula

C15H17Br2NO2

Molecular Weight

403.11

API Name

Bromoxynil

Chemical Information

Bromoxynil octanoate

Bromoxynil Octanoate can cause developmental toxicity according to The Environmental Protection Agency (EPA).

CAS Number	1689-99-2
PubChem CID	15533
IUPAC Name	(2,6-dibromo-4-cyanophenyl) octanoate
Molecular Formula	C15H17Br2NO2
Molecular Weight	403.11
XLogP	5.8
Topological Polar Surface Area	50.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	8
Heavy Atom Count	20
Formal Charge	0
Complexity	341

SMILES

CCCCCCCC(=O)OC1=C(C=C(C=C1Br)C#N)Br

InChI

InChI=1S/C15H17Br2NO2/c1-2-3-4-5-6-7-14(19)20-15-12(16)8-11(10-18)9-13(15)17/h8-9H,2-7H2,1H3

InChIKey

DQKWXTIYGWPGOO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1689-99-2

CID: 15533

Formula: C15H17Br2NO2

MW: 403.11

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	403.11
XLogP3	5.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	8
Exact Mass	402.96055
Monoisotopic Mass	400.96260
Topological Polar Surface Area	50.1 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	341
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
AR-B07917-01	Bromoxynil
AR-B07919-01	Bromoxynil Heptanoate
AR-L06506-01	Laninamivir Octanoate
AR-T05939-01	Trifarotene Octanoate
AR-V01592-01	Vitamin D3 Octanoate
AR-E08943-01	Estradiol 17-Octanoate Impurity
AR-G02645-01	Glycerol Octanonate-Diheptanoate
AR-N01761-01	Norethisterone Octoate
AR-O01036-01	Octinoxate-13C-d3
AR-O01035-01	Octinoxate (Octyl 4-Methoxycinnamate)

Catalog	Name
443527-01	Bromoxynil Octanoate
sc-227536	Bromoxynil-octanoate
HY-136370R-01	Bromoxynil octanoate (Standard)
FB19338-01	Bromoxynil
DAA86141-01	Bromoxynil butyrate
CS-AZ-00089	Bromoxynil-heptanoate
443526-01	Bromoxynil methyl ether
443525-01	Bromoxynil (Benzene-13C6)