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101463-63-2 | Benzenamine, 4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluoro-
CAS No: 101463-63-2 Catalog No: AG0004IR MDL No:
Product Description
Catalog Number:
AG0004IR
Chemical Name:
Benzenamine, 4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluoro-
CAS Number:
101463-63-2
Molecular Formula:
C13H8ClF4NO
Molecular Weight:
305.6553
IUPAC Name:
4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluoroaniline
InChI:
InChI=1S/C13H8ClF4NO/c14-9-5-7(13(16,17)18)1-4-12(9)20-8-2-3-11(19)10(15)6-8/h1-6H,19H2
InChI Key:
VJDSJZLFFLFXEQ-UHFFFAOYSA-N
SMILES:
Clc1cc(ccc1Oc1ccc(c(c1)F)N)C(F)(F)F
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.023g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
305.657g/mol
Monoisotopic Mass:
305.023g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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