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2-Bromo-6-fluoro-4-hydroxybenzaldehyde

CAT: 0127-PC1012380Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0127-PC1012380Size:1 Each
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CAS Number
1629141-29-2
MDL Number
MFCD28738856
Purity
95%
Smiles
C1c (cc (c (c1F) C=O) Br) O

Chemical Information

2-Bromo-6-fluoro-4-hydroxybenzaldehyde
CAS Number1629141-29-2
PubChem CID90458599
IUPAC Name2-bromo-6-fluoro-4-hydroxybenzaldehyde
Molecular FormulaC7H4BrFO2
Molecular Weight219.01
XLogP1.8
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity153
SMILES
C1=C(C=C(C(=C1F)C=O)Br)O
InChI
InChI=1S/C7H4BrFO2/c8-6-1-4(11)2-7(9)5(6)3-10/h1-3,11H
InChIKey
OHNADCAMSNTRIP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Bromo-6-fluoro-4-hydroxybenzaldehyde
CAS: 1629141-29-2
CID: 90458599
Formula: C7H4BrFO2
MW: 219.01
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight219.01
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass217.93787
Monoisotopic Mass217.93787
Topological Polar Surface Area37.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity153
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