4-Bromobutyl phenyl ether

CAT: 0024-sc-226548Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-226548Size:5 g

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CAS Number

1200-03-9

Chemical Information

(4-Bromobutoxy)benzene

CAS Number	1200-03-9
PubChem CID	70986
IUPAC Name	4-bromobutoxybenzene
Molecular Formula	C10H13BrO
Molecular Weight	229.11
XLogP	3.8
Topological Polar Surface Area	9.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	5
Heavy Atom Count	12
Formal Charge	0
Complexity	100

SMILES

C1=CC=C(C=C1)OCCCCBr

InChI

InChI=1S/C10H13BrO/c11-8-4-5-9-12-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2

InChIKey

QBLISOIWPZSVIK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1200-03-9

CID: 70986

Formula: C10H13BrO

MW: 229.11

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	229.11
XLogP3	3.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	5
Exact Mass	228.01498
Monoisotopic Mass	228.01498
Topological Polar Surface Area	9.2 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	100
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
sc-233986	Benzyl 4-bromobutyl ether
sc-232927	4-Nitrophenyl phenyl ether
sc-226655	4-Fluorophenyl phenyl ether
sc-290097	(4-Bromobutyl) cyclohexane
sc-290097A	(4-Bromobutyl) cyclohexane
sc-232505	4-Bromobutyl acetate
sc-232506	(4-Bromobutyl) triphenylphosphonium bromide
sc-223425A	2-Amino-4-chlorophenyl phenyl ether
sc-250430	N- (4-Bromobutyl) phthalimide
sc-223425	2-Amino-4-chlorophenyl phenyl ether

Catalog	Name
285830-01	4-Nitrophenyl phenyl ether
CAA36692	Ethyl 4- (trifluoromethyl) phenyl ether
C370141	4-Chlorophenyl Phenyl-d5 Ether
B687274	4-Bromophenyl Phenyl-d5 Ether
TRC-E931303-5MG	Ethyl 4-(Trifluoromethyl)phenyl Ether
OR1043340-01	Bis[4- (chloromethyl) phenyl] ether
233449-01	4-Nitrophenyl phenyl ether ≥97% (HPLC)
465475-01	S-4- (Trifluoromethyl) -phenyl Glycidyl Ether
PC2126	3,4,4-Trifluorobut-3-enyl phenyl ether
OR1095869	4-Bromo-2-isopropyl phenyl methoxymethyl ether