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62584-32-1 | 2-Chloro-3-(trifluoromethyl);benzonitrile
CAS No: 62584-32-1 Catalog No: AG003B6V MDL No:MFCD04115989
Product Description
Catalog Number:
AG003B6V
Chemical Name:
2-Chloro-3-(trifluoromethyl);benzonitrile
CAS Number:
62584-32-1
Molecular Formula:
C8H3ClF3N
Molecular Weight:
205.5643
MDL Number:
MFCD04115989
IUPAC Name:
2-chloro-3-(trifluoromethyl)benzonitrile
InChI:
InChI=1S/C8H3ClF3N/c9-7-5(4-13)2-1-3-6(7)8(10,11)12/h1-3H
InChI Key:
GANPUEIPQFDYQA-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1Cl)C(F)(F)F
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.991g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.564g/mol
Monoisotopic Mass:
204.991g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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