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180149-20-6 | Benzeneethanamine, 4-amino-3-fluoro-
CAS No: 180149-20-6 Catalog No: AG0021PN MDL No:
Product Description
Catalog Number:
AG0021PN
Chemical Name:
Benzeneethanamine, 4-amino-3-fluoro-
CAS Number:
180149-20-6
Molecular Formula:
C8H11FN2
Molecular Weight:
154.1847
IUPAC Name:
4-(2-aminoethyl)-2-fluoroaniline
InChI:
InChI=1S/C8H11FN2/c9-7-5-6(3-4-10)1-2-8(7)11/h1-2,5H,3-4,10-11H2
InChI Key:
JJIWLXXJQYEJKR-UHFFFAOYSA-N
SMILES:
NCCc1ccc(c(c1)F)N
Properties
Complexity:
119
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.091g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
154.188g/mol
Monoisotopic Mass:
154.091g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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