3- (2-Bromophenyl) -3-hydroxy-N-methoxy-N-methylpropanamide

CAT: 0127-OR1095860-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR1095860-01Size:1 g

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CAS Number

2734774-14-0

MDL Number

MFCD34564501

Purity

95%

Smiles

C1cccc (c1Br) C (CC (=O) N (OC) C) O

Chemical Information

3-(2-Bromophenyl)-3-hydroxy-N-methoxy-N-methylpropanamide

CAS Number	2734774-14-0
PubChem CID	164892784
IUPAC Name	3-(2-bromophenyl)-3-hydroxy-N-methoxy-N-methylpropanamide
Molecular Formula	C11H14BrNO3
Molecular Weight	288.14
XLogP	1.2
Topological Polar Surface Area	49.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	16
Formal Charge	0
Complexity	237

SMILES

CN(C(=O)CC(C1=CC=CC=C1Br)O)OC

InChI

InChI=1S/C11H14BrNO3/c1-13(16-2)11(15)7-10(14)8-5-3-4-6-9(8)12/h3-6,10,14H,7H2,1-2H3

InChIKey

NEIFZOBSPMIQKO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2734774-14-0

CID: 164892784

Formula: C11H14BrNO3

MW: 288.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	288.14
XLogP3	1.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	287.01571
Monoisotopic Mass	287.01571
Topological Polar Surface Area	49.8 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	237
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
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OR1089465-01	3-Hydroxy-N-methoxy-3- (3-methoxy-4-methylphenyl) -N-methylpropanamide
OR1095875	N- (3-Bromophenyl) -2-methylpropanamide
PC1026000-01	3- (2,3-Difluorophenyl) -3-hydroxy-N-methoxy-N-methylpropanamide

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