3-[ (3-Bromophenyl) methoxy]oxolane

CAT: 0926-UDC27568-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-UDC27568-01Size:50 mg

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CAS Number

1344275-68-8

MDL Number

MFCD18365202

Smiles

C1COCC1OCC2=CC (=CC=C2) Br

Molecular Formula

C11H13BrO2

Molecular Weight

257.12 g/mol

Controlled

Chemical Information

3-[(3-Bromophenyl)methoxy]oxolane

CAS Number	1344275-68-8
PubChem CID	63559488
IUPAC Name	3-[(3-bromophenyl)methoxy]oxolane
Molecular Formula	C11H13BrO2
Molecular Weight	257.12
XLogP	2.3
Topological Polar Surface Area	18.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	14
Formal Charge	0
Complexity	175

SMILES

C1COCC1OCC2=CC(=CC=C2)Br

InChI

InChI=1S/C11H13BrO2/c12-10-3-1-2-9(6-10)7-14-11-4-5-13-8-11/h1-3,6,11H,4-5,7-8H2

InChIKey

ZEEDJFMPYKOJEI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1344275-68-8

CID: 63559488

Formula: C11H13BrO2

MW: 257.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	257.12
XLogP3	2.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	256.00989
Monoisotopic Mass	256.00989
Topological Polar Surface Area	18.5 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	175
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
YLC23139-01	Methyl 3-[ (3-bromophenyl) methoxy]propanoate
RDC20658-01	3- (Isothiocyanatomethyl) oxolane
BMB26943-01	Oxolane-3-carbothioamide
ABC44985-01	4-[ (3-Bromophenyl) methoxy]-3-chlorobenzoic acid
ASB49655-01	3- (3-Bromopropyl) oxolane
JDC14634-01	3- (3-Bromopropoxy) oxolane
FO181976-01	Oxolane-3-thiol
KDA18208-01	3- (Azidomethyl) oxolane
RDC48761-01	3- (Isocyanatomethyl) oxolane
PDC09568-01	3- (3-Aminopropoxy) oxolane

Catalog	Name
429807-01	4-[ (3-Bromophenyl) methoxy]oxane
O1190-01	Oxolane-3-Carbonitrile
sc-344714	3-[ (2-bromophenyl) methoxy]benzoic acid
sc-348608	4-[ (4-bromophenyl) methoxy]-3-methoxybenzaldehyde
sc-259175	2- (3-Methoxy-4-bromophenyl) ethylamine
OR351274	3- (3’-Bromophenyl) -7-methoxy-4-methylcoumarin
OR1021355	3- (Benzylamino) oxolane-3-carboxamide
JH444688	Oxolane-3-carbonyl chloride
OR1021354	3- (Benzylamino) oxolane-3-carbonitrile
OR33180-01	3-[ (4-Bromophenyl) methoxy]pyridin-2-amine