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132604-91-2 | 2-Propenenitrile, 3-[4-chloro-3-(trifluoromethyl)phenyl]-, (Z)- (9CI)
CAS No: 132604-91-2 Catalog No: AG0010W6 MDL No:
Product Description
Catalog Number:
AG0010W6
Chemical Name:
2-Propenenitrile, 3-[4-chloro-3-(trifluoromethyl)phenyl]-, (Z)- (9CI)
CAS Number:
132604-91-2
Molecular Formula:
C10H5ClF3N
Molecular Weight:
231.6016
IUPAC Name:
3-[4-chloro-3-(trifluoromethyl)phenyl]prop-2-enenitrile
InChI:
InChI=1S/C10H5ClF3N/c11-9-4-3-7(2-1-5-15)6-8(9)10(12,13)14/h1-4,6H
InChI Key:
OYODBPRQBAYYIU-UHFFFAOYSA-N
SMILES:
N#C/C=C\c1ccc(c(c1)C(F)(F)F)Cl
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.006g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.602g/mol
Monoisotopic Mass:
231.006g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.6
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