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115046-30-5 | Benzeneethanamine, β,4-difluoro-
CAS No: 115046-30-5 Catalog No: AG000FS5 MDL No:MFCD18825325
Product Description
Catalog Number:
AG000FS5
Chemical Name:
Benzeneethanamine, β,4-difluoro-
CAS Number:
115046-30-5
Molecular Formula:
C8H9F2N
Molecular Weight:
157.1606
MDL Number:
MFCD18825325
IUPAC Name:
2-fluoro-2-(4-fluorophenyl)ethanamine
InChI:
InChI=1S/C8H9F2N/c9-7-3-1-6(2-4-7)8(10)5-11/h1-4,8H,5,11H2
InChI Key:
YRGZSEJVNHZQSA-UHFFFAOYSA-N
SMILES:
NCC(c1ccc(cc1)F)F
Properties
Complexity:
111
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.07g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
157.164g/mol
Monoisotopic Mass:
157.07g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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