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18283-13-1 | Butanoic acid, 2-cyano-2-fluoro-3-methyl-, ethyl ester
CAS No: 18283-13-1 Catalog No: AG00245V MDL No:
Product Description
Catalog Number:
AG00245V
Chemical Name:
Butanoic acid, 2-cyano-2-fluoro-3-methyl-, ethyl ester
CAS Number:
18283-13-1
Molecular Formula:
C8H12FNO2
Molecular Weight:
173.1848
IUPAC Name:
ethyl 2-cyano-2-fluoro-3-methylbutanoate
InChI:
InChI=1S/C8H12FNO2/c1-4-12-7(11)8(9,5-10)6(2)3/h6H,4H2,1-3H3
InChI Key:
VUBDUAPOTLCARO-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(C)C)(C#N)F
NSC Number:
84023
Properties
Complexity:
218
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:
4
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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