Terbuchlor

CAT: 0926-EAA21293-04Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-EAA21293-04Size:50 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

4212-93-5

Smiles

CCCCOCN (C1=C (C=CC=C1C (C) (C) C) C) C (=O) CCl

Molecular Formula

C18H28ClNO2

Molecular Weight

325.9 g/mol

Controlled

Chemical Information

Terbuchlor

CAS Number	4212-93-5
PubChem CID	165195
IUPAC Name	N-(butoxymethyl)-N-(2-tert-butyl-6-methylphenyl)-2-chloroacetamide
Molecular Formula	C18H28ClNO2
Molecular Weight	325.9
XLogP	4.9
Topological Polar Surface Area	29.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	8
Heavy Atom Count	22
Formal Charge	0
Complexity	340

SMILES

CCCCOCN(C1=C(C=CC=C1C(C)(C)C)C)C(=O)CCl

InChI

InChI=1S/C18H28ClNO2/c1-6-7-11-22-13-20(16(21)12-19)17-14(2)9-8-10-15(17)18(3,4)5/h8-10H,6-7,11-13H2,1-5H3

InChIKey

KGMBZDZHRAFLBY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4212-93-5

CID: 165195

Formula: C18H28ClNO2

MW: 325.9

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	325.9
XLogP3	4.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	8
Exact Mass	325.1808568
Monoisotopic Mass	325.1808568
Topological Polar Surface Area	29.5 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	340
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
GTR19263953-01	Terbuchlor