2- (2-Chlorophenyl) -1,4-oxazepane

CAT: 0926-FWB16326-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-FWB16326-01Size:50 mg

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CAS Number

1155163-26-0

MDL Number

MFCD12183857

Smiles

C1CNCC (OC1) C2=CC=CC=C2Cl

Molecular Formula

C11H14ClNO

Molecular Weight

211.69 g/mol

Controlled

Chemical Information

2-(2-Chlorophenyl)-1,4-oxazepane

CAS Number	1155163-26-0
PubChem CID	43498447
IUPAC Name	2-(2-chlorophenyl)-1,4-oxazepane
Molecular Formula	C11H14ClNO
Molecular Weight	211.69
XLogP	1.9
Topological Polar Surface Area	21.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	14
Formal Charge	0
Complexity	177

SMILES

C1CNCC(OC1)C2=CC=CC=C2Cl

InChI

InChI=1S/C11H14ClNO/c12-10-5-2-1-4-9(10)11-8-13-6-3-7-14-11/h1-2,4-5,11,13H,3,6-8H2

InChIKey

YWEZNUVMMVJOAD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1155163-26-0

CID: 43498447

Formula: C11H14ClNO

MW: 211.69

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	211.69
XLogP3	1.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	211.0763918
Monoisotopic Mass	211.0763918
Topological Polar Surface Area	21.3 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	177
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
FM133973-01	2-Methyl-1,4-oxazepane
FWB16641-01	2-Ethyl-1,4-oxazepane
IMB73457-01	2-Phenyl-1,4-oxazepane
FD134260-01	2,2-Dimethyl-1,4-oxazepane
JBD31621-01	2- (Fluoromethyl) -1,4-oxazepane hydrochloride
YGC03270-01	2-Phenyl-1,4-oxazepane hydrochloride
DXC58589-01	4- (2-Bromoethyl) -1,4-oxazepane hydrochloride
XAA18538-01	1,2-Oxazepane hydrochloride
FMC43052-01	5-Methyl-2-phenyl-1,4-oxazepane
KZC12679-01	6- (Propan-2-yl) -1,4-oxazepane

Catalog	Name
OR1071254-01	2,7-Dimethyl-1,4-oxazepane
OR97151	Methyl 1,4-oxazepane-2-carboxylate
OR97146	Methyl 1,4-oxazepane-2-carboxylate hydrochloride
OR83699-01	Tert-Butyl 2- (hydroxymethyl) -1,4-oxazepane-4-carboxylate
JH916448	(S) -4-Benzyl-2- ((benzyloxy) methyl) -1,4-oxazepane
OR1068178-01	4- (tert-Butoxycarbonyl) -1,4-oxazepane-2-carboxylic acid
sc-297440A	1- (4-Chlorophenyl) -2-[ (4-chlorophenyl) sulfanyl]-1-ethanone
OR1031226-01	(S) -4- (tert-Butoxycarbonyl) -1,4-oxazepane-2-carboxylic acid
OR1069795-01	(R) -4- (tert-Butoxycarbonyl) -1,4-oxazepane-2-carboxylic acid
OR1056179-01	(R) -tert-Butyl 2- (hydroxymethyl) -1,4-oxazepane-4-carboxylate