4-Bromo-2-fluoro-3-hydroxybenzaldehyde

CAT: 0127-PC1013073Size: 1 EachDry Ice: NoHazardous: No

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CAT#:0127-PC1013073Size:1 Each

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CAS Number

1805027-41-1

MDL Number

MFCD28132109

Purity

97%

Smiles

C1cc (c (c (c1Br) O) F) C=O

Chemical Information

4-Bromo-2-fluoro-3-hydroxybenzaldehyde

CAS Number	1805027-41-1
PubChem CID	118799558
IUPAC Name	4-bromo-2-fluoro-3-hydroxybenzaldehyde
Molecular Formula	C7H4BrFO2
Molecular Weight	219.01
XLogP	1.8
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	153

SMILES

C1=CC(=C(C(=C1C=O)F)O)Br

InChI

InChI=1S/C7H4BrFO2/c8-5-2-1-4(3-10)6(9)7(5)11/h1-3,11H

InChIKey

MLSROSFMQRYJTB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1805027-41-1

CID: 118799558

Formula: C7H4BrFO2

MW: 219.01

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	219.01
XLogP3	1.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	217.93787
Monoisotopic Mass	217.93787
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	11
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
PC1024094	2-bromo-4-fluoro-3-hydroxybenzaldehyde
PC501688	3-Bromo-4-fluoro-2-hydroxybenzaldehyde
PC500210-01	4-Bromo-3-fluoro-2-hydroxybenzaldehyde
PC1022397	4-Bromo-2-fluoro-5-hydroxybenzaldehyde
PC201140-01	4-Bromo-2-fluoro-6-hydroxybenzaldehyde
PC501995	2-Bromo-4-fluoro-6-hydroxybenzaldehyde
PC1023455	2-bromo-4-fluoro-5-hydroxybenzaldehyde
PC501927-01	4-Bromo-5-fluoro-2-hydroxybenzaldehyde
PC1012380	2-Bromo-6-fluoro-4-hydroxybenzaldehyde
PC430579-01	5-Bromo-4-fluoro-2-hydroxybenzaldehyde

Catalog	Name
PLB39721-01	5-Bromo-2-fluoro-4-hydroxybenzaldehyde
CHC40576-01	4-Bromo-5-fluoro-2-hydroxybenzaldehyde
CHC38215-01	2-Bromo-3-fluoro-6-hydroxybenzaldehyde
ZHA28782-01	3-Bromo-6-fluoro-2-hydroxybenzaldehyde
FF44840-01	2-Fluoro-4-hydroxybenzaldehyde
sc-260942	3-Fluoro-4-hydroxybenzaldehyde
FB11113-01	4-Bromo-2-hydroxybenzaldehyde
FB30014-01	3-Bromo-4-hydroxybenzaldehyde
430995-01	4-Bromo-3-hydroxybenzaldehyde
FF04948-01	3-Fluoro-2-hydroxybenzaldehyde