4-bromo-2-iodobenzaldehyde

CAT: 0926-LAC47087Size: 10 gDry Ice: NoHazardous: No

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CAT#:0926-LAC47087Size:10 g

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CAS Number

1261470-87-4

MDL Number

MFCD18391619

Smiles

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

Molecular Formula

C7H4BrIO

Molecular Weight

310.9 g/mol

Controlled

Chemical Information

4-Bromo-2-iodobenzaldehyde

CAS Number	1261470-87-4
PubChem CID	53231310
IUPAC Name	4-bromo-2-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=CC(=C(C=C1Br)I)C=O

InChI

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

InChIKey

JFFYPBIPKMTEEQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1261470-87-4

CID: 53231310

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
YJB38782-01	3-Bromo-4-iodobenzaldehyde
BDC71457-01	3-Bromo-2-fluoro-4-iodobenzaldehyde
DXC58849-01	4-Bromo-2-fluoro-5-iodobenzaldehyde
LAC86040-01	3-Bromo-2-iodobenzaldehyde
GEC11337-01	3-Bromo-4-fluoro-5-iodobenzaldehyde
KAC81079-01	2-Chloro-4-iodobenzaldehyde
FH143424-01	4-Hydroxy-2-iodobenzaldehyde
FI52515-01	4-Iodobenzaldehyde
HIB67420-01	2- (Benzyloxy) -5-bromo-3-iodobenzaldehyde
HIB67400-01	2- (Allyloxy) -5-bromo-3-iodobenzaldehyde

Catalog	Name
OR40677-01	4-Bromo-2-iodobenzaldehyde
OR40673-01	2-Bromo-4-iodobenzaldehyde
OR63029-01	4-Bromo-3-iodobenzaldehyde
OR400418-01	3-Bromo-4-iodobenzaldehyde
PC1026388-01	2-bromo-4-fluoro-5-iodobenzaldehyde
PC501947	2-Bromo-5-fluoro-4-iodobenzaldehyde
PC104102-01	5-Bromo-2-fluoro-4-iodobenzaldehyde
PC53388-01	4-Bromo-5-fluoro-2-iodobenzaldehyde
OR102012-01	5-Bromo-2-chloro-4-iodobenzaldehyde
PC500624-01	4-Bromo-3-fluoro-2-iodobenzaldehyde