3- (3,5-dichlorophenyl) -3-Oxetanol

CAT: 0127-OR1085686-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1085686-01Size:250 mg

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CAS Number

1788072-56-9

MDL Number

MFCD34851823

Purity

95%

Smiles

OC1 (COC1) c1cc (Cl) cc (Cl) c1

Chemical Information

3-Oxetanol, 3-(3,5-dichlorophenyl)-

CAS Number	1788072-56-9
PubChem CID	118110515
IUPAC Name	3-(3,5-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	184

SMILES

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

InChI

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

InChIKey

CCZVKEMNEQJMGW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1788072-56-9

CID: 118110515

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	184
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
OR1084392-01	3- (2,5-Dichlorophenyl) -3-oxetanol
OR1085936-01	3- (3,4-Dichlorophenyl) -3-oxetanol
OR1087269-01	3- (2,3-Dichlorophenyl) -3-oxetanol
OR1084191-01	3- (2,4-Dichlorophenyl) -3-oxetanol
OR1087237-01	3- (3,5-Dimethylphenyl) -3-oxetanol
OR1086573-01	3- (3,5-Dimethoxyphenyl) -3-oxetanol
OR1086570-01	3- (2,5-Dimethylphenyl) -3-oxetanol
PC1014034-01	3- (2,5-Difluorophenyl) -3-oxetanol
OR1083568-01	3- (5-Bromo-3-pyridinyl) -3-oxetanol
OR1100681-01	3- (3-Chloro-5-methoxyphenyl) -3-oxetanol

Catalog	Name
abx181124-01	3-Oxetanol
HYB75880-01	3- (5-Bromo-2-pyridyl) -3-oxetanol
422707-01	3- (3,5-Dichlorophenyl) phenol
422706-01	3- (3,5-Dichlorophenyl) benzonitrile
426552-01	3-Oxetanol Isopropyl Ether
YIB07217-01	(3,5-Dichlorophenyl) methanesulfonamide
FD66213-01	(3,5-Dichlorophenyl) acetone
GAA59093-01	3,5-Dichlorophenyl isothiocyanate
34893-92-0	3,5-Dichlorophenyl isocyanate
274005-01	(3,5-Dichlorophenyl) ethylamine