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73800-85-8 | Ornithine,2-(fluoromethyl)-
CAS No: 73800-85-8 Catalog No: AG005KHP MDL No:
Product Description
Catalog Number:
AG005KHP
Chemical Name:
Ornithine,2-(fluoromethyl)-
CAS Number:
73800-85-8
Molecular Formula:
C6H13FN2O2
Molecular Weight:
164.1780
IUPAC Name:
2,5-diamino-2-(fluoromethyl)pentanoic acid
InChI:
InChI=1S/C6H13FN2O2/c7-4-6(9,5(10)11)2-1-3-8/h1-4,8-9H2,(H,10,11)
InChI Key:
PYSFCFGTQFSVRE-UHFFFAOYSA-N
SMILES:
NCCC[C@](C(=O)O)(CF)N
Properties
Complexity:
143
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.096g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
164.18g/mol
Monoisotopic Mass:
164.096g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
89.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.4
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