3- (2,5-Dichlorophenyl) -3-oxetanol

CAT: 0127-OR1084392-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1084392-01Size:250 mg

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CAS Number

1531857-73-4

MDL Number

MFCD34851909

Purity

97%

Smiles

OC1 (COC1) c1c (Cl) ccc (Cl) c1

Chemical Information

3-(2,5-Dichlorophenyl)-3-oxetanol

CAS Number	1531857-73-4
PubChem CID	83690307
IUPAC Name	3-(2,5-dichlorophenyl)oxetan-3-ol
Molecular Formula	C9H8Cl2O2
Molecular Weight	219.06
XLogP	1.8
Topological Polar Surface Area	29.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	13
Formal Charge	0
Complexity	194

SMILES

C1C(CO1)(C2=C(C=CC(=C2)Cl)Cl)O

InChI

InChI=1S/C9H8Cl2O2/c10-6-1-2-8(11)7(3-6)9(12)4-13-5-9/h1-3,12H,4-5H2

InChIKey

KMDKDHIAMZVJKC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1531857-73-4

CID: 83690307

Formula: C9H8Cl2O2

MW: 219.06

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	219.06
XLogP3	1.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	217.9901349
Monoisotopic Mass	217.9901349
Topological Polar Surface Area	29.5 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	194
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
OR1085686-01	3- (3,5-dichlorophenyl) -3-Oxetanol
OR1087269-01	3- (2,3-Dichlorophenyl) -3-oxetanol
OR1084191-01	3- (2,4-Dichlorophenyl) -3-oxetanol
OR1085936-01	3- (3,4-Dichlorophenyl) -3-oxetanol
OR1086570-01	3- (2,5-Dimethylphenyl) -3-oxetanol
PC1014034-01	3- (2,5-Difluorophenyl) -3-oxetanol
PC1014822-01	3- (2,4,5-Trifluorophenyl) -3-oxetanol
PC1014815-01	3- (5-Fluoro-2-methylphenyl) -3-oxetanol
OR1086577-01	3- (2-Methoxy-5-methylphenyl) -3-oxetanol
PC1014137-01	3- (5-Fluoro-2-methoxyphenyl) -3-oxetanol

Catalog	Name
HYB75880-01	3- (5-Bromo-2-pyridyl) -3-oxetanol
434415-01	5- (3,5-Dichlorophenyl) -2-formylphenol
413519-01	2- (3,5-Dichlorophenyl) benzonitrile
JEA34695-01	2- (3,5-Dichlorophenyl) acetaldehyde
JCA84371-01	3- (2,5-Dichlorophenyl) pyrazole
413520-01	2- (3,5-Dichlorophenyl) ethanamine
413517-01	2- (3,5-Dichlorophenyl) acetonitrile
TCA57536	2- (3,5-Dichlorophenyl) propene
FD53091	2- (3,5-Dichlorophenyl) Pyrrolidine
434418-01	5- (3,5-Dichlorophenyl) pyridin-2-amine