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113779-23-0 | 2-Butenoic acid, 4-amino-2-fluoro-, (2Z)-
CAS No: 113779-23-0 Catalog No: AG0009N4 MDL No:
Product Description
Catalog Number:
AG0009N4
Chemical Name:
2-Butenoic acid, 4-amino-2-fluoro-, (2Z)-
CAS Number:
113779-23-0
Molecular Formula:
C4H6FNO2
Molecular Weight:
119.0943
IUPAC Name:
4-amino-2-fluorobut-2-enoic acid
InChI:
InChI=1S/C4H6FNO2/c5-3(1-2-6)4(7)8/h1H,2,6H2,(H,7,8)
InChI Key:
XWAOSJLMXCZMHD-UHFFFAOYSA-N
SMILES:
NC/C=C(/C(=O)O)\F
Properties
Complexity:
121
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
119.038g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
119.095g/mol
Monoisotopic Mass:
119.038g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
-2.9
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