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137379-61-4 | Benzenemethanamine, 4-fluoro-N-(1-methylethyl)-
CAS No: 137379-61-4 Catalog No: AG001374 MDL No:MFCD00716884
Product Description
Catalog Number:
AG001374
Chemical Name:
Benzenemethanamine, 4-fluoro-N-(1-methylethyl)-
CAS Number:
137379-61-4
Molecular Formula:
C10H14FN
Molecular Weight:
167.2233
MDL Number:
MFCD00716884
IUPAC Name:
N-[(4-fluorophenyl)methyl]propan-2-amine
InChI:
InChI=1S/C10H14FN/c1-8(2)12-7-9-3-5-10(11)6-4-9/h3-6,8,12H,7H2,1-2H3
InChI Key:
IDZSJVHMHRLKIU-UHFFFAOYSA-N
SMILES:
CC(NCc1ccc(cc1)F)C
Properties
Complexity:
117
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:
3
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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