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2,6-Difluoroaniline

CAS No.:
5509-65-9
Catalog Number:
AG00331H
Molecular Formula:
C6H5F2N
Molecular Weight:
129.1074
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$32
- +
100g
98%
In Stock USA
United States
$88
- +
Product Description
Catalog Number:
AG00331H
Chemical Name:
2,6-Difluoroaniline
CAS Number:
5509-65-9
Molecular Formula:
C6H5F2N
Molecular Weight:
129.1074
MDL Number:
MFCD00007655
IUPAC Name:
2,6-difluoroaniline
InChI:
InChI=1S/C6H5F2N/c7-4-2-1-3-5(8)6(4)9/h1-3H,9H2
InChI Key:
ODUZJBKKYBQIBX-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1N)F
EC Number:
226-853-0
NSC Number:
127234
Properties
Complexity:
87.1  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
129.039g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
129.11g/mol
Monoisotopic Mass:
129.039g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Literature
Title Journal
N-(3,4-Difluoro-phen-yl)-2,2-diphenyl-acetamide. Acta crystallographica. Section E, Structure reports online 20120501
Experimental and theoretical study of 2,6-difluorophenylnitrene, its radical cation, and their rearrangement products in argon matrices. Chemphyschem : a European journal of chemical physics and physical chemistry 20060612
Study of singlet and triplet 2,6-difluorophenylnitrene by time-resolved infrared spectroscopy. The journal of physical chemistry. A 20050331
Properties