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Home > Fluorides > 138499-64-6
138499-64-6 | L-Threonine, 4,4-difluoro- (9CI)
CAS No: 138499-64-6 Catalog No: AG0019AP MDL No:
Product Description
Catalog Number:
AG0019AP
Chemical Name:
L-Threonine, 4,4-difluoro- (9CI)
CAS Number:
138499-64-6
Molecular Formula:
C4H7F2NO3
Molecular Weight:
155.1001
IUPAC Name:
2-amino-4,4-difluoro-3-hydroxybutanoic acid
InChI:
InChI=1S/C4H7F2NO3/c5-3(6)2(8)1(7)4(9)10/h1-3,8H,7H2,(H,9,10)
InChI Key:
JAOZCNCICCFCIX-UHFFFAOYSA-N
SMILES:
FC([C@H]([C@@H](C(=O)O)N)O)F
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.039g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
155.101g/mol
Monoisotopic Mass:
155.039g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.5
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