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885270-48-4 | 4-Chloro-N-(3-fluorophenethyl)aniline
CAS No: 885270-48-4 Catalog No: AG004745 MDL No:MFCD04114501
Product Description
Catalog Number:
AG004745
Chemical Name:
4-Chloro-N-(3-fluorophenethyl)aniline
CAS Number:
885270-48-4
Molecular Formula:
C14H13ClFN
Molecular Weight:
249.7111
MDL Number:
MFCD04114501
IUPAC Name:
4-chloro-N-[2-(3-fluorophenyl)ethyl]aniline
InChI:
InChI=1S/C14H13ClFN/c15-12-4-6-14(7-5-12)17-9-8-11-2-1-3-13(16)10-11/h1-7,10,17H,8-9H2
InChI Key:
FLQGWJRKAYAPEB-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)NCCc1cccc(c1)F
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.072g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.713g/mol
Monoisotopic Mass:
249.072g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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