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120651-02-7 | 3-(4-chloroanilino)-2-cyano-2-butenamide
CAS No: 120651-02-7 Catalog No: AG01FON4 MDL No:
Product Description
Catalog Number:
AG01FON4
Chemical Name:
3-(4-chloroanilino)-2-cyano-2-butenamide
CAS Number:
120651-02-7
IUPAC Name:
(Z)-3-(4-chloroanilino)-2-cyanobut-2-enamide
InChI:
InChI=1S/C11H10ClN3O/c1-7(10(6-13)11(14)16)15-9-4-2-8(12)3-5-9/h2-5,15H,1H3,(H2,14,16)/b10-7-
InChI Key:
YPKJUWVWNUJUBR-YFHOEESVSA-N
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
235.051g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
235.671g/mol
Monoisotopic Mass:
235.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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