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18964-26-6 | Acetic acid, 2-chloro-2-cyano-, ethyl ester
CAS No: 18964-26-6 Catalog No: AG002DVA MDL No:
Product Description
Catalog Number:
AG002DVA
Chemical Name:
Acetic acid, 2-chloro-2-cyano-, ethyl ester
CAS Number:
18964-26-6
Molecular Formula:
C5H6ClNO2
Molecular Weight:
147.5596
IUPAC Name:
ethyl 2-chloro-2-cyanoacetate
InChI:
InChI=1S/C5H6ClNO2/c1-2-9-5(8)4(6)3-7/h4H,2H2,1H3
InChI Key:
XLKNEDJUGDVJDP-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C#N)Cl
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.009g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
147.558g/mol
Monoisotopic Mass:
147.009g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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