N- (3-bromophenyl) -2-morpholinoacetamide

CAT: 0127-OR1098477-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1098477-01Size:250 mg

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CAS Number

708996-07-0

Purity

95%

Smiles

N (C (=O) CN1CCOCC1) c1cc (Br) ccc1

Chemical Information

N-(3-bromophenyl)-2-morpholinoacetamide

CAS Number	708996-07-0
PubChem CID	2215384
IUPAC Name	N-(3-bromophenyl)-2-morpholin-4-ylacetamide
Molecular Formula	C12H15BrN2O2
Molecular Weight	299.16
XLogP	2.4
Topological Polar Surface Area	41.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	17
Formal Charge	0
Complexity	257

SMILES

C1COCCN1CC(=O)NC2=CC(=CC=C2)Br

InChI

InChI=1S/C12H15BrN2O2/c13-10-2-1-3-11(8-10)14-12(16)9-15-4-6-17-7-5-15/h1-3,8H,4-7,9H2,(H,14,16)

InChIKey

IAHCNKULHLKBIL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 708996-07-0

CID: 2215384

Formula: C12H15BrN2O2

MW: 299.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	299.16
XLogP3	2.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	298.03169
Monoisotopic Mass	298.03169
Topological Polar Surface Area	41.6 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	257
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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