4- (4-Bromobutoxy) benzaldehyde

CAT: 0127-OR1034021-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1034021-01Size:100 mg

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CAS Number

72621-19-3

Purity

98%

Smiles

O=CC1=CC=C(OCCCCBr)C=C1

Chemical Information

4-(4-Bromobutoxy)benzaldehyde

CAS Number	72621-19-3
PubChem CID	13109703
IUPAC Name	4-(4-bromobutoxy)benzaldehyde
Molecular Formula	C11H13BrO2
Molecular Weight	257.12
XLogP	2.9
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Heavy Atom Count	14
Formal Charge	0
Complexity	153

SMILES

C1=CC(=CC=C1C=O)OCCCCBr

InChI

InChI=1S/C11H13BrO2/c12-7-1-2-8-14-11-5-3-10(9-13)4-6-11/h3-6,9H,1-2,7-8H2

InChIKey

NSDOEOWTTXZPFG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 72621-19-3

CID: 13109703

Formula: C11H13BrO2

MW: 257.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	257.12
XLogP3	2.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Exact Mass	256.00989
Monoisotopic Mass	256.00989
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	153
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
OR80219-01	(4-Bromobutoxy) benzene
OR76098-01	1- (4-Bromobutoxy) -4-chlorobenzene
OR96299-01	((4-Bromobutoxy) methyl) benzene
OR0866	1- (4-Bromobutoxy) -4-methoxybenzene
OR0865	1- (4-Bromobutoxy) -2-methoxybenzene
OR28080	4- (4-Bromobutoxy) -4'-methoxy-1,1'-biphenyl
OR72986-01	4-Bromobutoxy-tert-butyl-dimethylsilane
OR94226-01	2- (4-Bromobutoxy) tetrahydro-2H-pyran
OR1011141-01	4- (4-Methoxyphenoxy) Benzaldehyde
OR110516-01	4- (4-Methylphenoxy) benzaldehyde

Catalog	Name
sc-226386	4- (4-Formylphenoxy) benzaldehyde
sc-232225	4- (4-Bromophenoxy) benzaldehyde
sc-254566	4- (4-Morpholinyl) benzaldehyde
sc-232248	4- (4-Methylphenyl) benzaldehyde
047535-01	4-Chloro Benzaldehyde (p-Chloro Benzaldehyde)
DDA83295-01	4- (Benzylsulfanyl) benzaldehyde
JKB60282-01	4- (Pentafluoroethyl) benzaldehyde
BFA52153-01	4- (Cyclohexylmethoxy) benzaldehyde
CAA19932-01	4- (Trimethylsilyl) benzaldehyde
TRC-T791775-250MG	4-(Trifluoromethylsulfonyl)benzaldehyde