Home Sulfos 2-PyridineethanaMine, b,b-difluoro-, benzenesulfonate (1

2-PyridineethanaMine, b,b-difluoro-, benzenesulfonate (1

CAS No.:
435345-04-3
Catalog Number:
AG00DB3G
Molecular Formula:
C13H14F2N2O3S
Molecular Weight:
316.3237
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Product Description
Catalog Number:
AG00DB3G
Chemical Name:
2-PyridineethanaMine, b,b-difluoro-, benzenesulfonate (1
CAS Number:
435345-04-3
Molecular Formula:
C13H14F2N2O3S
Molecular Weight:
316.3237
MDL Number:
MFCD13185132
IUPAC Name:
benzenesulfonic acid;2,2-difluoro-2-pyridin-2-ylethanamine
InChI:
InChI=1S/C7H8F2N2.C6H6O3S/c8-7(9,5-10)6-3-1-2-4-11-6;7-10(8,9)6-4-2-1-3-5-6/h1-4H,5,10H2;1-5H,(H,7,8,9)
InChI Key:
RZDXBFLRLZSAKK-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)c1ccccc1.NCC(c1ccccn1)(F)F
Properties
Complexity:
311  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.069g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
316.323g/mol
Monoisotopic Mass:
316.069g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties