4- (2- (4-bromo-2-chlorophenoxy) ethyl) morpholine

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CAS Number

435285-43-1

MDL Number

MFCD03710265

Smiles

C1 (c (ccc (c1) Br) OCCN1CCOCC1) Cl

Chemical Information

4-(2-(4-Bromo-2-chlorophenoxy)ethyl)morpholine

CAS Number	435285-43-1
PubChem CID	803740
IUPAC Name	4-[2-(4-bromo-2-chlorophenoxy)ethyl]morpholine
Molecular Formula	C12H15BrClNO2
Molecular Weight	320.61
XLogP	2.9
Topological Polar Surface Area	21.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	17
Formal Charge	0
Complexity	227

SMILES

C1COCCN1CCOC2=C(C=C(C=C2)Br)Cl

InChI

InChI=1S/C12H15BrClNO2/c13-10-1-2-12(11(14)9-10)17-8-5-15-3-6-16-7-4-15/h1-2,9H,3-8H2

InChIKey

BKLSJDMWTKQUKQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 435285-43-1

CID: 803740

Formula: C12H15BrClNO2

MW: 320.61

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	320.61
XLogP3	2.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	318.99747
Monoisotopic Mass	318.99747
Topological Polar Surface Area	21.7 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	227
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
OR1096038	Ethyl 2- (4-bromo-2-chlorophenoxy) acetate
PC1024367-01	4- (2- (2-bromo-3-fluorophenoxy) ethyl) morpholine
OR300549	Ethyl 2- (4-chlorophenoxy) acetoacetate
OR26850-01	Ethyl 2- (4-chlorophenoxy) -2-methylpropanoate
OR33511-01	2- (4-Bromo-2-chlorophenoxy) acetonitrile
OR200096	4-[2- (4-Bromophenoxy) ethyl]morpholine
OR11442-01	4-[2- (4-Nitrophenoxy) ethyl]morpholine
OR1080120-01	4-[2- (4-iodophenoxy) ethyl]morpholine
PC1022338	4- (4-Bromo-2-fluorobenzoyl) morpholine
OR94066-01	4- (4-Bromo-2-methylphenyl) morpholine

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