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Home > Fluorides > 175136-63-7
175136-63-7 | 2-Propenenitrile, 3-[3,5-bis(trifluoromethyl)phenyl]-
CAS No: 175136-63-7 Catalog No: AG00209O MDL No:MFCD00051605
Product Description
Catalog Number:
AG00209O
Chemical Name:
2-Propenenitrile, 3-[3,5-bis(trifluoromethyl)phenyl]-
CAS Number:
175136-63-7
Molecular Formula:
C11H5F6N
Molecular Weight:
265.1545
MDL Number:
MFCD00051605
IUPAC Name:
(E)-3-[3,5-bis(trifluoromethyl)phenyl]prop-2-enenitrile
InChI:
InChI=1S/C11H5F6N/c12-10(13,14)8-4-7(2-1-3-18)5-9(6-8)11(15,16)17/h1-2,4-6H/b2-1+
InChI Key:
XZINYAZSRZTYPY-OWOJBTEDSA-N
SMILES:
N#CC=Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
265.033g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.158g/mol
Monoisotopic Mass:
265.033g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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