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1799434-65-3 | 1-Propanol, 2-[(5-chloro-4-iodo-2-pyridinyl)amino]-, (2S)-
CAS No: 1799434-65-3 Catalog No: AG0021ID MDL No:MFCD25459279
Product Description
Catalog Number:
AG0021ID
Chemical Name:
1-Propanol, 2-[(5-chloro-4-iodo-2-pyridinyl)amino]-, (2S)-
CAS Number:
1799434-65-3
Molecular Formula:
C8H10ClIN2O
Molecular Weight:
312.5353
MDL Number:
MFCD25459279
IUPAC Name:
(2S)-2-[(5-chloro-4-iodopyridin-2-yl)amino]propan-1-ol
InChI:
InChI=1S/C8H10ClIN2O/c1-5(4-13)12-8-2-7(10)6(9)3-11-8/h2-3,5,13H,4H2,1H3,(H,11,12)/t5-/m0/s1
InChI Key:
CEDNQGKJSNBQPS-YFKPBYRVSA-N
SMILES:
C[C@H](Nc1cc(I)c(cn1)Cl)CO
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
311.953g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
312.535g/mol
Monoisotopic Mass:
311.953g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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