3-Bromo-5-iodobenzaldehyde

CAT: 0926-NHA81309Size: 2.5 gDry Ice: NoHazardous: No

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CAT#:0926-NHA81309Size:2.5 g

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CAS Number

188813-09-4

MDL Number

MFCD07779024

Smiles

C1=C (C=C (C=C1Br) I) C=O

Molecular Formula

C7H4BrIO

Molecular Weight

310.91 g/mol

Controlled

Chemical Information

3-Bromo-5-iodobenzaldehyde

CAS Number	188813-09-4
PubChem CID	21935325
IUPAC Name	3-bromo-5-iodobenzaldehyde
Molecular Formula	C7H4BrIO
Molecular Weight	310.91
XLogP	2.7
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	129

SMILES

C1=C(C=C(C=C1Br)I)C=O

InChI

InChI=1S/C7H4BrIO/c8-6-1-5(4-10)2-7(9)3-6/h1-4H

InChIKey

XZXJUWDREBPKRI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 188813-09-4

CID: 21935325

Formula: C7H4BrIO

MW: 310.91

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	310.91
XLogP3	2.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	309.84902
Monoisotopic Mass	309.84902
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	129
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
HIB67420-01	2- (Benzyloxy) -5-bromo-3-iodobenzaldehyde
HIB67400-01	2- (Allyloxy) -5-bromo-3-iodobenzaldehyde
GEC11337-01	3-Bromo-4-fluoro-5-iodobenzaldehyde
IDB27290-01	5-Bromo-2-ethoxy-3-iodobenzaldehyde
LAC86040-01	3-Bromo-2-iodobenzaldehyde
YJB38782-01	3-Bromo-4-iodobenzaldehyde
DXC58849-01	4-Bromo-2-fluoro-5-iodobenzaldehyde
PLB63693	3-Fluoro-5-iodobenzaldehyde
BDC71457-01	3-Bromo-2-fluoro-4-iodobenzaldehyde
LAC47087	4-bromo-2-iodobenzaldehyde

Catalog	Name
OR40676-01	3-Bromo-5-iodobenzaldehyde
263698-01	5-Bromo-2-iodobenzaldehyde
TRC-B679493-1G	2-Bromo-5-iodobenzaldehyde
PC1007061-01	3-Bromo-2-fluoro-5-iodobenzaldehyde
OR97136-01	3-Bromo-2-hydroxy-5-iodobenzaldehyde
OR400371	2-Bromo-5-chloro-3-iodobenzaldehyde
OR61186-01	3-Bromo-5-chloro-2-iodobenzaldehyde
PC99644-01	5-Bromo-2-fluoro-3-iodobenzaldehyde
PC51677-01	3-Bromo-4-fluoro-5-iodobenzaldehyde
OR1099484-01	5-bromo-2-hydroxy-3-iodobenzaldehyde