1- (4-Bromo-2,6-difluorophenyl) hexan-1-ol

CAT: 0127-PC1022853-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-PC1022853-01Size:1 g

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CAS Number

1598807-81-8

MDL Number

MFCD32632021

Purity

95%

Smiles

C1 (cc (cc (c1C (CCCCC) O) F) Br) F

Chemical Information

1-(4-Bromo-2,6-difluorophenyl)hexan-1-ol

CAS Number	1598807-81-8
PubChem CID	115784340
IUPAC Name	1-(4-bromo-2,6-difluorophenyl)hexan-1-ol
Molecular Formula	C12H15BrF2O
Molecular Weight	293.15
XLogP	4.3
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	16
Formal Charge	0
Complexity	191

SMILES

CCCCCC(C1=C(C=C(C=C1F)Br)F)O

InChI

InChI=1S/C12H15BrF2O/c1-2-3-4-5-11(16)12-9(14)6-8(13)7-10(12)15/h6-7,11,16H,2-5H2,1H3

InChIKey

JJCWXXSYEUBRCT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1598807-81-8

CID: 115784340

Formula: C12H15BrF2O

MW: 293.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	293.15
XLogP3	4.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	292.02743
Monoisotopic Mass	292.02743
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	191
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
OR90702-01	6- (Benzyloxy) hexan-1-ol
OR1060426-01	6- (Diethylamino) hexan-1-ol
OR95293-01	6- (Dimethylamino) hexan-1-ol
PC0092	6- (Perfluoroisopropyl) hexan-1-ol
PC1011889-01	1- (4-bromo-2,6-difluorophenyl) -2-methylpropan-1-ol
PC0013	6- (Pentafluoroethyl) hexan-1-ol
PC1012469-01	1- (3-bromo-2,6-difluorophenyl) propan-1-ol
PC1020012-01	1- (6-bromo-2,3-difluorophenyl) propan-1-ol
PC1014433-01	1- (2-bromo-3,6-difluorophenyl) -2-methylpropan-1-ol
PC1023944-01	1- (3-bromo-2,6-difluorophenyl) -2-methylbutan-1-ol

Catalog	Name
CBA38459-01	6- (Dimethylamino) hexan-2-ol
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259197	6-Amino-2-hydroxymethyl hexan-1-ol
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