4- (2-Bromobenzyl) morpholine

CAT: 0127-OR3761-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR3761-01Size:250 mg

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CAS Number

91130-51-7

Synonyms

1-Bromo-2-[ (morpholin-4-yl) methyl]benzene

MDL Number

MFCD00979294

Purity

=95%

Smiles

Brc1ccccc1CN2CCOCC2

Chemical Information

4-(2-Bromobenzyl)morpholine

CAS Number	91130-51-7
PubChem CID	2845477
IUPAC Name	4-[(2-bromophenyl)methyl]morpholine
Molecular Formula	C11H14BrNO
Molecular Weight	256.14
XLogP	2.1
Topological Polar Surface Area	12.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	14
Formal Charge	0
Complexity	171

SMILES

C1COCCN1CC2=CC=CC=C2Br

InChI

InChI=1S/C11H14BrNO/c12-11-4-2-1-3-10(11)9-13-5-7-14-8-6-13/h1-4H,5-9H2

InChIKey

RFCVOGXWQWZLPA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 91130-51-7

CID: 2845477

Formula: C11H14BrNO

MW: 256.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	256.14
XLogP3	2.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	255.02588
Monoisotopic Mass	255.02588
Topological Polar Surface Area	12.5 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	171
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
OR3763-01	4- (4-Bromobenzyl) morpholine
OR3762-01	4- (3-Bromobenzyl) morpholine
PC1011166	4- (2,6-Difluoro-3-bromobenzyl) morpholine
OR312343	4- (4-Bromobenzyl) -3- (hydroxymethyl) morpholine-3-carbonitrile
OR11622-01	4- (4-Bromobenzoyl) morpholine
OR16543	2- (4-Bromobenzyl) thiophene
OR88879-01	2- (4-Bromobenzyl) oxirane
OR11927-01	4- (3-Bromobenzoyl) morpholine
OR1085743-01	4-Bromo-2- (4-bromobenzyl) phenol
OR1057955-01	2- (4-Bromobenzyl) malonic acid