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2-Bromo-6-fluorobenzaldehyde

CAT: 0572-TRC-B683305-10GSize: 10 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-B683305-10GSize:10 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
360575-28-6
Synonyms
2-Bromo-6-fluorobenzaldehyde , 2-Fluoro-6-bromobenzaldehyde
Hazard Statement
Harmful if swallowed.
Smiles
BrC1=C(C=O)C(F)=CC=C1
Molecular Formula
C7H4BrFO
Molecular Weight
203.01
InChI
InChI=1S/C7H4BrFO/c8-6-2-1-3-7(9)5(6)4-10/h1-4H
Additionnal Information
IUPAC name: 2-bromo-6-fluorobenzaldehyde
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

2-Bromo-6-fluorobenzaldehyde
CAS Number360575-28-6
PubChem CID22473977
IUPAC Name2-bromo-6-fluorobenzaldehyde
Molecular FormulaC7H4BrFO
Molecular Weight203.01
XLogP2.2
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity129
SMILES
C1=CC(=C(C(=C1)Br)C=O)F
InChI
InChI=1S/C7H4BrFO/c8-6-2-1-3-7(9)5(6)4-10/h1-4H
InChIKey
PJNILWKRAKKEQM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Bromo-6-fluorobenzaldehyde
CAS: 360575-28-6
CID: 22473977
Formula: C7H4BrFO
MW: 203.01
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight203.01
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass201.94296
Monoisotopic Mass201.94296
Topological Polar Surface Area17.1 Ų
Heavy Atom Count10
Formal Charge0
Complexity129
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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