Chloramben

CAT: 0013-GTR19203504-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19203504-02Size:50 mg

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Description

Chloramben is a selective herbicide used in agricultural research to study its pre-emergent control of annual grasses and broadleaf weeds. Its mode of action, involving auxin-like growth disruption, is investigated in both plant physiology studies and in vitro enzyme assays.

CAS Number

133-90-4

Smiles

Nc1cc (Cl) cc (C (O) =O) c1Cl

Molecular Formula

C7H5Cl2NO2

Molecular Weight

206.03

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Chloramben

Chloramben is a chlorobenzoic acid.

CAS Number	133-90-4
PubChem CID	8630
IUPAC Name	3-amino-2,5-dichlorobenzoic acid
Molecular Formula	C7H5Cl2NO2
Molecular Weight	206.02
XLogP	2
Topological Polar Surface Area	63.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	188

SMILES

C1=C(C=C(C(=C1C(=O)O)Cl)N)Cl

InChI

InChI=1S/C7H5Cl2NO2/c8-3-1-4(7(11)12)6(9)5(10)2-3/h1-2H,10H2,(H,11,12)

InChIKey

HSSBORCLYSCBJR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 133-90-4

CID: 8630

Formula: C7H5Cl2NO2

MW: 206.02

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	206.02
XLogP3	2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	204.9697338
Monoisotopic Mass	204.9697338
Topological Polar Surface Area	63.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	188
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

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HY-119417-01	Chloramben
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HY-119417R-01	Chloramben (Standard)
S-765	Chloramben - 1ML
T30888	Chloramben-sodium

Chloramben

Chemical Information

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