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1454848-00-0 | Benzoic acid, 2-[(1R)-1-[(2-amino-5-bromo-3-pyridinyl)oxy]ethyl]-4-fluoro-, methyl ester
CAS No: 1454848-00-0 Catalog No: AG001D3C MDL No:
Product Description
Catalog Number:
AG001D3C
Chemical Name:
Benzoic acid, 2-[(1R)-1-[(2-amino-5-bromo-3-pyridinyl)oxy]ethyl]-4-fluoro-, methyl ester
CAS Number:
1454848-00-0
Molecular Formula:
C15H14BrFN2O3
Molecular Weight:
369.1857
IUPAC Name:
methyl 2-[1-(2-amino-5-bromopyridin-3-yl)oxyethyl]-4-fluorobenzoate
InChI:
InChI=1S/C15H14BrFN2O3/c1-8(22-13-5-9(16)7-19-14(13)18)12-6-10(17)3-4-11(12)15(20)21-2/h3-8H,1-2H3,(H2,18,19)
InChI Key:
NEXBDDSPNVIGGI-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1[C@H](Oc1cc(Br)cnc1N)C)F
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.017g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
369.19g/mol
Monoisotopic Mass:
368.017g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
74.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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