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Home > Aldehydes > 1032350-07-4
1032350-07-4 | 4-AMino-2-chloronicotinaldehyde 2,2,2-trifluoroacetate
CAS No: 1032350-07-4 Catalog No: AG008Z76 MDL No:
Product Description
Catalog Number:
AG008Z76
Chemical Name:
4-AMino-2-chloronicotinaldehyde 2,2,2-trifluoroacetate
CAS Number:
1032350-07-4
Molecular Formula:
C8H6ClF3N2O3
Molecular Weight:
270.5930
IUPAC Name:
4-amino-2-chloropyridine-3-carbaldehyde;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C6H5ClN2O.C2HF3O2/c7-6-4(3-10)5(8)1-2-9-6;3-2(4,5)1(6)7/h1-3H,(H2,8,9);(H,6,7)
InChI Key:
ILEULPZLIIFHRM-UHFFFAOYSA-N
SMILES:
OC(=O)C(F)(F)F.O=Cc1c(N)ccnc1Cl
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.002g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
270.592g/mol
Monoisotopic Mass:
270.002g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
93.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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