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49561-96-8 | 2-(4-(Trifluoromethoxy)phenyl)acetonitrile
CAS No: 49561-96-8 Catalog No: AG003KBB MDL No:MFCD00061240
Product Description
Catalog Number:
AG003KBB
Chemical Name:
2-(4-(Trifluoromethoxy)phenyl)acetonitrile
CAS Number:
49561-96-8
Molecular Formula:
C9H6F3NO
Molecular Weight:
201.1452
MDL Number:
MFCD00061240
IUPAC Name:
2-[4-(trifluoromethoxy)phenyl]acetonitrile
InChI:
InChI=1S/C9H6F3NO/c10-9(11,12)14-8-3-1-7(2-4-8)5-6-13/h1-4H,5H2
InChI Key:
LYFCAROXYJTUQF-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(cc1)OC(F)(F)F
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.04g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.148g/mol
Monoisotopic Mass:
201.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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