3-Bromobutan-1-ol

CAT: 0127-OR1061839-01Size: 100 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR1061839-01Size:100 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

6089-12-9

MDL Number

MFCD20621401

Purity

98%

Smiles

CC(Br)CCO

Chemical Information

3-Bromobutan-1-ol

CAS Number	6089-12-9
PubChem CID	14726789
IUPAC Name	3-bromobutan-1-ol
Molecular Formula	C4H9BrO
Molecular Weight	153.02
XLogP	1.1
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	6
Formal Charge	0
Complexity	30

SMILES

CC(CCO)Br

InChI

InChI=1S/C4H9BrO/c1-4(5)2-3-6/h4,6H,2-3H2,1H3

InChIKey

ZVWPDURJKLPNAL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6089-12-9

CID: 14726789

Formula: C4H9BrO

MW: 153.02

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	153.02
XLogP3	1.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	151.98368
Monoisotopic Mass	151.98368
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	30.7
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
OR4233-01	4-Bromobutan-1-ol
OR76627-01	4-Bromobutan-2-ol
OR74866-01	4-Bromobutan-1-amine hydrobromide
OR1012092-01	8-Bromooctan-1-ol
OR85143-01	4-Bromobutan-2-one
OR1073401-01	3-Mercaptopentan-1-ol
OR30371	3-chloroadamantan-1-ol
OR1004172-01	3-Propylcyclohexan-1-ol
OR1023544-01	3-Methylpentan-1-ol
OR0977-01	3-Chloropropan-1-ol

Catalog	Name
FAA79880-01	3-Bromobutan-2-ol
ZAA06863-01	2-Bromobutan-1-ol
RG-B181508-01	4-Bromobutan-1-Ol
GAA08917	4-Bromobutan-2-ol
AL BW 0457-01	3-bromobutan-1-amine
AL BW 0077-01	4-bromobutan-1-amine
HY-W005399-01	4-Bromobutan-1-amine hydrobromide
PED67222-01	3-Bromobutan-2-amine hydrochloride
LBA60043-01	1-Bromobutan-2-amine hydrobromide
TRC-B232945-1G	4-(Benzyloxy)-1-bromobutan-2-one