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2-Bromo-5-methoxybenzaldehyde

CAT: 0572-TRC-B699575-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B699575-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
7507-86-0
Synonyms
3-Methoxy-6-bromobenzaldehyde; 6-Bromo-3-methoxybenzaldehyde; NSC 401439;
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
COc1ccc(Br)c(C=O)c1
Molecular Formula
C8H7O2Br
Molecular Weight
215.04
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

2-Bromo-5-methoxybenzaldehyde
CAS Number7507-86-0
PubChem CID344480
IUPAC Name2-bromo-5-methoxybenzaldehyde
Molecular FormulaC8H7BrO2
Molecular Weight215.04
XLogP2
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity138
SMILES
COC1=CC(=C(C=C1)Br)C=O
InChI
InChI=1S/C8H7BrO2/c1-11-7-2-3-8(9)6(4-7)5-10/h2-5H,1H3
InChIKey
XNHKTMIWQCNZST-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Bromo-5-methoxybenzaldehyde
CAS: 7507-86-0
CID: 344480
Formula: C8H7BrO2
MW: 215.04
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight215.04
XLogP32
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass213.96294
Monoisotopic Mass213.96294
Topological Polar Surface Area26.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity138
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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