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18283-37-9 | Hexanoic acid, 2-(aminocarbonyl)-2-fluoro-
CAS No: 18283-37-9 Catalog No: AG00246Q MDL No:
Product Description
Catalog Number:
AG00246Q
Chemical Name:
Hexanoic acid, 2-(aminocarbonyl)-2-fluoro-
CAS Number:
18283-37-9
Molecular Formula:
C7H12FNO3
Molecular Weight:
177.1735
IUPAC Name:
2-carbamoyl-2-fluorohexanoic acid
InChI:
InChI=1S/C7H12FNO3/c1-2-3-4-7(8,5(9)10)6(11)12/h2-4H2,1H3,(H2,9,10)(H,11,12)
InChI Key:
BXVRBTGTKAZXOQ-UHFFFAOYSA-N
SMILES:
CCCCC(C(=O)O)(C(=O)N)F
NSC Number:
87256
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.08g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
177.175g/mol
Monoisotopic Mass:
177.08g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
80.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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