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18283-12-0 | Pentanoic acid, 2-cyano-2-fluoro-, ethyl ester
CAS No: 18283-12-0 Catalog No: AG00245W MDL No:
Product Description
Catalog Number:
AG00245W
Chemical Name:
Pentanoic acid, 2-cyano-2-fluoro-, ethyl ester
CAS Number:
18283-12-0
Molecular Formula:
C8H12FNO2
Molecular Weight:
173.1848
IUPAC Name:
ethyl 2-cyano-2-fluoropentanoate
InChI:
InChI=1S/C8H12FNO2/c1-3-5-8(9,6-10)7(11)12-4-2/h3-5H2,1-2H3
InChI Key:
YMMDHWDEHQCMOH-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(CCC)(C#N)F
NSC Number:
84024
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.085g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
173.187g/mol
Monoisotopic Mass:
173.085g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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