3- (3-Bromophenoxy) propan-1-ol

CAT: 0926-SDA58463-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-SDA58463-01Size:100 mg

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CAS Number

92584-63-9

MDL Number

MFCD11614019

Smiles

C1=CC (=CC (=C1) Br) OCCCO

Molecular Formula

C9H11BrO2

Molecular Weight

231.09 g/mol

Controlled

Chemical Information

3-(3-Bromophenoxy)propan-1-ol

CAS Number	92584-63-9
PubChem CID	13314228
IUPAC Name	3-(3-bromophenoxy)propan-1-ol
Molecular Formula	C9H11BrO2
Molecular Weight	231.09
XLogP	2.3
Topological Polar Surface Area	29.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	12
Formal Charge	0
Complexity	119

SMILES

C1=CC(=CC(=C1)Br)OCCCO

InChI

InChI=1S/C9H11BrO2/c10-8-3-1-4-9(7-8)12-6-2-5-11/h1,3-4,7,11H,2,5-6H2

InChIKey

LJACQNZRKNJEHV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 92584-63-9

CID: 13314228

Formula: C9H11BrO2

MW: 231.09

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	231.09
XLogP3	2.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	229.99424
Monoisotopic Mass	229.99424
Topological Polar Surface Area	29.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	119
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
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MEA16937-01	1-Amino-3- (2-bromophenoxy) propan-2-ol
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ZZB56426-01	3- (Cyclobutylamino) propan-1-ol
ZAA06672-01	3- (Butylamino) propan-1-ol
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JBA00367-01	3- (Dipropylamino) propan-1-ol
ZQB27523-01	3- (Heptylamino) propan-1-ol
PDC41281-01	3- (Cyclopropylmethoxy) propan-1-ol

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