Tert-Butoxybenzene

CAT: 0127-OR914526-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR914526-01Size:1 g

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CAS Number

6669-13-2

MDL Number

MFCD00049018

Purity

98%

Smiles

CC(C)(C)Oc1ccccc1

Chemical Information

Benzene, (1,1-dimethylethoxy)-

CAS Number	6669-13-2
PubChem CID	81179
IUPAC Name	(2-methylpropan-2-yl)oxybenzene
Molecular Formula	C10H14O
Molecular Weight	150.22
XLogP	2.9
Topological Polar Surface Area	9.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	107

SMILES

CC(C)(C)OC1=CC=CC=C1

InChI

InChI=1S/C10H14O/c1-10(2,3)11-9-7-5-4-6-8-9/h4-8H,1-3H3

InChIKey

PNKZBZPLRKCVLI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6669-13-2

CID: 81179

Formula: C10H14O

MW: 150.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	150.22
XLogP3	2.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	150.104465066
Monoisotopic Mass	150.104465066
Topological Polar Surface Area	9.2 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	107
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
OR21904-01	1-Bromo-4-butoxybenzene
OR1095578	1-Bromo-2-butoxybenzene
OR1051700-01	1,3-Dibromo-5-butoxybenzene
OR1055490-01	Tert-Butyl tert-butylcarbamate
OR480884-01	1-tert-Butoxyvinyloxy-tert-butyldimethylsilane
OR1031865-01	Tert-Butyl (tert-butoxycarbonyl) -d-serinate
OR1007488	Tert-butyl (tert-butoxycarbonyl) -L-cysteinate
OR1086815-01	Tert-butyl 3- (tert-butyl) benzoate
OR1035009-01	Tert-butyl (tert-butoxycarbonyl) -L-homoserinate
OR46242-01	Tert-Butyl [ (tert-butoxycarbonyl) oxy]carbamate

Catalog	Name
GAA66913	Tert-Butoxybenzene
sc-258709A	1-Bromo-4-tert-butoxybenzene
RG-B212028-01	Butoxybenzene
420072-01	2,4-Dibromo-1-tert-butoxybenzene
RG-B212026-01	Sec-Butoxybenzene
409328-01	1-Bromo-4-butoxybenzene
ECA51430	1-Bromo-2-butoxybenzene
sc-323155A	4-Iodo-1-butoxybenzene
TRC-M723890-100MG	1-(3-Morpholinopropxy)-2-(3-morpholinopropyl)-4-butoxybenzene
407888-01	1- (3-Morpholinopropxy) -2- (3-morpholinopropyl) -4-butoxybenzene