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1200-27-7 | Benzeneethanamine, 4-fluoro-α,α-dimethyl-
CAS No: 1200-27-7 Catalog No: AG000Q27 MDL No:MFCD00082702
Product Description
Catalog Number:
AG000Q27
Chemical Name:
Benzeneethanamine, 4-fluoro-α,α-dimethyl-
CAS Number:
1200-27-7
Molecular Formula:
C10H14FN
Molecular Weight:
167.2233
MDL Number:
MFCD00082702
IUPAC Name:
1-(4-fluorophenyl)-2-methylpropan-2-amine
InChI:
InChI=1S/C10H14FN/c1-10(2,12)7-8-3-5-9(11)6-4-8/h3-6H,7,12H2,1-2H3
InChI Key:
JITFIYFVPMQJOK-UHFFFAOYSA-N
SMILES:
CC(Cc1ccc(cc1)F)(N)C
Properties
Complexity:
137
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.111g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
167.227g/mol
Monoisotopic Mass:
167.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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