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870063-53-9 | (2-Chloro-5-fluoropyridin-3-yl);methanamine
CAS No: 870063-53-9 Catalog No: AG004GR7 MDL No:MFCD11975957
Product Description
Catalog Number:
AG004GR7
Chemical Name:
(2-Chloro-5-fluoropyridin-3-yl);methanamine
CAS Number:
870063-53-9
Molecular Formula:
C6H6ClFN2
Molecular Weight:
160.5766
MDL Number:
MFCD11975957
IUPAC Name:
(2-chloro-5-fluoropyridin-3-yl)methanamine
InChI:
InChI=1S/C6H6ClFN2/c7-6-4(2-9)1-5(8)3-10-6/h1,3H,2,9H2
InChI Key:
ZVHCOUATUMIIIL-UHFFFAOYSA-N
SMILES:
NCc1cc(F)cnc1Cl
Properties
Complexity:
112
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.02g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
160.576g/mol
Monoisotopic Mass:
160.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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