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1781063-82-8

1781063-82-8 | Benzeneacetonitrile, 2-chloro-3,4-difluoro-

CAS No: 1781063-82-8 Catalog No: AG0025RI MDL No:MFCD28555144

Product Description

Catalog Number:
AG0025RI
Chemical Name:
Benzeneacetonitrile, 2-chloro-3,4-difluoro-
CAS Number:
1781063-82-8
Molecular Formula:
C8H4ClF2N
Molecular Weight:
187.5739
MDL Number:
MFCD28555144
IUPAC Name:
2-(2-chloro-3,4-difluorophenyl)acetonitrile
InChI:
InChI=1S/C8H4ClF2N/c9-7-5(3-4-12)1-2-6(10)8(7)11/h1-2H,3H2
InChI Key:
OTGHUCBOLAXTSU-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(c(c1Cl)F)F

Properties

Complexity:
201  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.574g/mol
Monoisotopic Mass:
187g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  

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