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123685-60-9 | Benzenamine, 4-fluoro-N-2-propyn-1-yl-
CAS No: 123685-60-9 Catalog No: AG000KXG MDL No:
Product Description
Catalog Number:
AG000KXG
Chemical Name:
Benzenamine, 4-fluoro-N-2-propyn-1-yl-
CAS Number:
123685-60-9
Molecular Formula:
C9H8FN
Molecular Weight:
149.1649
IUPAC Name:
4-fluoro-N-prop-2-ynylaniline
InChI:
InChI=1S/C9H8FN/c1-2-7-11-9-5-3-8(10)4-6-9/h1,3-6,11H,7H2
InChI Key:
HEMMRIOOSIFBNQ-UHFFFAOYSA-N
SMILES:
C#CCNc1ccc(cc1)F
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.064g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
149.168g/mol
Monoisotopic Mass:
149.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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