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Home > Aldehydes > 1227601-42-4
1227601-42-4 | 2-Pyridinecarboxaldehyde, 3-bromo-5-(trifluoromethyl)-
CAS No: 1227601-42-4 Catalog No: AG000JDQ MDL No:MFCD16606467
Product Description
Catalog Number:
AG000JDQ
Chemical Name:
2-Pyridinecarboxaldehyde, 3-bromo-5-(trifluoromethyl)-
CAS Number:
1227601-42-4
Molecular Formula:
C7H3BrF3NO
Molecular Weight:
254.0040
MDL Number:
MFCD16606467
IUPAC Name:
3-bromo-5-(trifluoromethyl)pyridine-2-carbaldehyde
InChI:
InChI=1S/C7H3BrF3NO/c8-5-1-4(7(9,10)11)2-12-6(5)3-13/h1-3H
InChI Key:
YQJSHHUAEQVWJY-UHFFFAOYSA-N
SMILES:
O=Cc1ncc(cc1Br)C(F)(F)F
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.935g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.006g/mol
Monoisotopic Mass:
252.935g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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