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18283-11-9 | Butanoic acid, 2-cyano-2-fluoro-, ethyl ester
CAS No: 18283-11-9 Catalog No: AG00245X MDL No:
Product Description
Catalog Number:
AG00245X
Chemical Name:
Butanoic acid, 2-cyano-2-fluoro-, ethyl ester
CAS Number:
18283-11-9
Molecular Formula:
C7H10FNO2
Molecular Weight:
159.1582
IUPAC Name:
ethyl 2-cyano-2-fluorobutanoate
InChI:
InChI=1S/C7H10FNO2/c1-3-7(8,5-9)6(10)11-4-2/h3-4H2,1-2H3
InChI Key:
FLWFTTAUWFVVAU-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C#N)(CC)F
NSC Number:
84021
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.07g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
159.16g/mol
Monoisotopic Mass:
159.07g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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