4-bromo-2,6-diethylphenol

CAT: 0127-OR1098401Size: 1 EachDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR1098401Size:1 Each

Selected

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

Quick Request Actions

CAS Number

63770-09-2

MDL Number

MFCD09743810

Smiles

C1 (c (cc (cc1CC) Br) CC) O

Chemical Information

4-Bromo-2,6-diethylphenol

CAS Number	63770-09-2
PubChem CID	53426634
IUPAC Name	4-bromo-2,6-diethylphenol
Molecular Formula	C10H13BrO
Molecular Weight	229.11
XLogP	3.4
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	124

SMILES

CCC1=CC(=CC(=C1O)CC)Br

InChI

InChI=1S/C10H13BrO/c1-3-7-5-9(11)6-8(4-2)10(7)12/h5-6,12H,3-4H2,1-2H3

InChIKey

JFCRPCJEBIFQTE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 63770-09-2

CID: 53426634

Formula: C10H13BrO

MW: 229.11

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	229.11
XLogP3	3.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	228.01498
Monoisotopic Mass	228.01498
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	124
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
OR929730-01	2,6-Diethylphenol
OR1058199-01	3,5-Diethylphenol
OR1095210-01	4-bromo-2,6-diisopropylbenzaldehyde
OR1093201-01	2-Bromo-4,6-dimethoxybenzonitrile
OR1099966-01	2-bromo-4,6-diiodoaniline
OR1098843-01	2-bromo-4,6-dichlorobenzonitrile
OR1064388-01	4-Bromo-2,6-diethylbenzonitrile
OR1061323-01	4-Bromo-2,6-diisopropylphenol
OR1096726	2-Bromo-4,6-dichlorobenzaldehyde
OR1034345-01	4-Bromo-2,6-dichloroanisole

Catalog	Name
TN9656-01	2,6-Diethylphenol
TRC-D478800-250MG	3,4-Diethylphenol
ZDA83526-01	2-Bromo-4,6-dichlorobenzonitrile
QBA46695-01	4-Bromo-2,6-dinitrophenol
QAA19136	2-Bromo-4,6-dimethylphenol
VCA65471-01	4-Bromo-2,6-dimethoxyphenol
FB34211-01	4-Bromo-2,6-difluorophenol
GDA57469	2-Bromo-4,6-dimethoxybenzaldehyde
EGA65059-01	2-Bromo-4,6-difluorobenzaldehyde
EAA52477	2-Bromo-4,6-dichlorophenol