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18283-35-7 | Pentanoic acid, 2-(aminocarbonyl)-2-fluoro-
CAS No: 18283-35-7 Catalog No: AG00246S MDL No:
Product Description
Catalog Number:
AG00246S
Chemical Name:
Pentanoic acid, 2-(aminocarbonyl)-2-fluoro-
CAS Number:
18283-35-7
Molecular Formula:
C6H10FNO3
Molecular Weight:
163.1469
IUPAC Name:
2-carbamoyl-2-fluoropentanoic acid
InChI:
InChI=1S/C6H10FNO3/c1-2-3-6(7,4(8)9)5(10)11/h2-3H2,1H3,(H2,8,9)(H,10,11)
InChI Key:
ZYCPUOIGRRDURM-UHFFFAOYSA-N
SMILES:
CCCC(C(=O)O)(C(=O)N)F
NSC Number:
87255
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.064g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
163.148g/mol
Monoisotopic Mass:
163.064g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
80.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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