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Home > Aldehydes > 128071-75-0
128071-75-0 | 3-Pyridinecarboxaldehyde, 2-bromo-
CAS No: 128071-75-0 Catalog No: AG000XQC MDL No:MFCD04966945
Product Description
Catalog Number:
AG000XQC
Chemical Name:
3-Pyridinecarboxaldehyde, 2-bromo-
CAS Number:
128071-75-0
Molecular Formula:
C6H4BrNO
Molecular Weight:
186.0061
MDL Number:
MFCD04966945
IUPAC Name:
2-bromopyridine-3-carbaldehyde
InChI:
InChI=1S/C6H4BrNO/c7-6-5(4-9)2-1-3-8-6/h1-4H
InChI Key:
GNFWMEFWZWXLIN-UHFFFAOYSA-N
SMILES:
O=Cc1cccnc1Br
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 |
|---|---|
| 2-Chloro- and 2-bromo-3-pyridinecarboxaldehydes: structures, rotamers, fermi resonance and vibration modes. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20110901 |
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