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31181-90-5 | 5-Bromopicolinaldehyde
CAS No: 31181-90-5 Catalog No: AG003MKV MDL No:MFCD04112535
Product Description
Catalog Number:
AG003MKV
Chemical Name:
5-Bromopicolinaldehyde
CAS Number:
31181-90-5
Molecular Formula:
C6H4BrNO
Molecular Weight:
186.0061
MDL Number:
MFCD04112535
IUPAC Name:
5-bromopyridine-2-carbaldehyde
InChI:
InChI=1S/C6H4BrNO/c7-5-1-2-6(4-9)8-3-5/h1-4H
InChI Key:
ZQVLPMNLLKGGIU-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cn1)Br
Properties
Complexity:
107
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.948g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.008g/mol
Monoisotopic Mass:
184.948g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| Dynamic multi-component covalent assembly for the reversible binding of secondary alcohols and chirality sensing. | Nature chemistry 20111201 |
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