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Home > Aldehydes > 1027785-21-2
1027785-21-2 | 3-Pyridinecarboxaldehyde, 6-amino-5-bromo-
CAS No: 1027785-21-2 Catalog No: AG0008C2 MDL No:
Product Description
Catalog Number:
AG0008C2
Chemical Name:
3-Pyridinecarboxaldehyde, 6-amino-5-bromo-
CAS Number:
1027785-21-2
Molecular Formula:
C6H5BrN2O
Molecular Weight:
201.0207
IUPAC Name:
6-amino-5-bromopyridine-3-carbaldehyde
InChI:
InChI=1S/C6H5BrN2O/c7-5-1-4(3-10)2-9-6(5)8/h1-3H,(H2,8,9)
InChI Key:
NFRTVYCEXUQVGQ-UHFFFAOYSA-N
SMILES:
O=Cc1cnc(c(c1)Br)N
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.959g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
201.023g/mol
Monoisotopic Mass:
199.959g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
56A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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