3-Bromo-1-morpholinopropan-1-one

CAT: 0926-ZMA79635-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-ZMA79635-01Size:50 mg

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CAS Number

324796-35-2

MDL Number

MFCD11052231

Smiles

C1COCCN1C (=O) CCBr

Molecular Formula

C7H12BrNO2

Molecular Weight

222.08 g/mol

Controlled

Chemical Information

3-Bromo-1-morpholinopropan-1-one

CAS Number	324796-35-2
PubChem CID	12829247
IUPAC Name	3-bromo-1-morpholin-4-ylpropan-1-one
Molecular Formula	C7H12BrNO2
Molecular Weight	222.08
XLogP	0
Topological Polar Surface Area	29.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	134

SMILES

C1COCCN1C(=O)CCBr

InChI

InChI=1S/C7H12BrNO2/c8-2-1-7(10)9-3-5-11-6-4-9/h1-6H2

InChIKey

RQAWLDHLXFJWDD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 324796-35-2

CID: 12829247

Formula: C7H12BrNO2

MW: 222.08

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	222.08
XLogP3	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	221.00514
Monoisotopic Mass	221.00514
Topological Polar Surface Area	29.5 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	134
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

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Catalog	Name
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