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114498-44-1 | Propanoic acid, 3-amino-2-fluoro-, ethyl ester, (R)- (9CI)
CAS No: 114498-44-1 Catalog No: AG000EK4 MDL No:
Product Description
Catalog Number:
AG000EK4
Chemical Name:
Propanoic acid, 3-amino-2-fluoro-, ethyl ester, (R)- (9CI)
CAS Number:
114498-44-1
Molecular Formula:
C5H10FNO2
Molecular Weight:
135.1368
IUPAC Name:
ethyl 3-amino-2-fluoropropanoate
InChI:
InChI=1S/C5H10FNO2/c1-2-9-5(8)4(6)3-7/h4H,2-3,7H2,1H3
InChI Key:
UOJRHPZOSHOMRW-UHFFFAOYSA-N
SMILES:
CCOC(=O)[C@@H](CN)F
Properties
Complexity:
97
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
135.07g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
135.138g/mol
Monoisotopic Mass:
135.07g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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