4- (3-Bromopropoxy) benzaldehyde

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CAS Number

17954-81-3

MDL Number

MFCD08447768

Purity

95%

Smiles

BrCCCOc1ccc(C=O)cc1

Chemical Information

4-(3-Bromopropoxy)benzaldehyde

CAS Number	17954-81-3
PubChem CID	13715789
IUPAC Name	4-(3-bromopropoxy)benzaldehyde
Molecular Formula	C10H11BrO2
Molecular Weight	243.10
XLogP	2.5
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Heavy Atom Count	13
Formal Charge	0
Complexity	142

SMILES

C1=CC(=CC=C1C=O)OCCCBr

InChI

InChI=1S/C10H11BrO2/c11-6-1-7-13-10-4-2-9(8-12)3-5-10/h2-5,8H,1,6-7H2

InChIKey

XQCCNZFHLCQXEP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 17954-81-3

CID: 13715789

Formula: C10H11BrO2

MW: 243.10

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	243.10
XLogP3	2.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	241.99424
Monoisotopic Mass	241.99424
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	142
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
OR470946	3- (3-Bromopropoxy) benzaldehyde
OR12129	Methyl 4- (3-bromopropoxy) benzoate
OR7501-01	4- (3-Bromopropoxy) benzeneboronic acid
OR24456	1- (3-Bromopropoxy) -4-nitrobenzene
OR94628	1- (3-Bromopropoxy) -4-methoxybenzene
OR12024	1- (Benzyloxy) -4- (3-bromopropoxy) benzene
PC1010586-01	4- (3-Bromopropoxy) -4'-fluoro-1,1'-biphenyl
OR8572	4- (3-Bromopropoxy) benzeneboronic acid, pinacol ester
OR22888-01	[ (3-Bromopropoxy) methyl]benzene
OR1046972-01	1- (3-Bromopropoxy) -3-nitrobenzene

Catalog	Name
ZAA08309-01	3- (Hexyloxy) benzaldehyde
RVB78007-01	3- (Cyclobutylmethoxy) benzaldehyde
EEA50827-01	3- (Phenoxymethyl) benzaldehyde
FM54704-01	3- (Methylthio) benzaldehyde
UQB44659-01	3- (cyclohexylmethoxy) benzaldehyde
PNA06276-01	3- (Methylamino) benzaldehyde
273796-01	3- (Difluoromethyl) benzaldehyde
MBS3617161-01	3-(Trifluoromethyl)benzaldehyde
sc-260476A	3- (Bromomethyl) benzaldehyde
MBS5772918	Benzaldehyde, 3-fluoro-