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Home > Fluorides > 302911-99-5
302911-99-5 | Benzeneacetonitrile, 2,5-bis(trifluoromethyl)-
CAS No: 302911-99-5 Catalog No: AG002ZHG MDL No:MFCD00799489
Product Description
Catalog Number:
AG002ZHG
Chemical Name:
Benzeneacetonitrile, 2,5-bis(trifluoromethyl)-
CAS Number:
302911-99-5
Molecular Formula:
C10H5F6N
Molecular Weight:
253.1438
MDL Number:
MFCD00799489
IUPAC Name:
2-[2,5-bis(trifluoromethyl)phenyl]acetonitrile
InChI:
InChI=1S/C10H5F6N/c11-9(12,13)7-1-2-8(10(14,15)16)6(5-7)3-4-17/h1-2,5H,3H2
InChI Key:
PMNBXHKKVPKJER-UHFFFAOYSA-N
SMILES:
N#CCc1cc(ccc1C(F)(F)F)C(F)(F)F
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.033g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.147g/mol
Monoisotopic Mass:
253.033g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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