Home Halogens 2-(3-chloro-2-fluorophenyl)-2-methylpropanenitrile

2-(3-chloro-2-fluorophenyl)-2-methylpropanenitrile

CAS No.:
1260853-46-0
Catalog Number:
AG01ACWW
Molecular Formula:
C10H9ClFN
Molecular Weight:
197.6366
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Product Description
Catalog Number:
AG01ACWW
Chemical Name:
2-(3-chloro-2-fluorophenyl)-2-methylpropanenitrile
CAS Number:
1260853-46-0
Molecular Formula:
C10H9ClFN
Molecular Weight:
197.6366
MDL Number:
MFCD11036558
IUPAC Name:
2-(3-chloro-2-fluorophenyl)-2-methylpropanenitrile
InChI:
InChI=1S/C10H9ClFN/c1-10(2,6-13)7-4-3-5-8(11)9(7)12/h3-5H,1-2H3
InChI Key:
VXGLXWGURZKZQJ-UHFFFAOYSA-N
SMILES:
N#CC(c1cccc(c1F)Cl)(C)C
Properties
Complexity:
230  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.041g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.637g/mol
Monoisotopic Mass:
197.041g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties