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78747-70-3 | Benzenamine, 3-[2-chloro-4-(trifluoromethyl)phenoxy]-
CAS No: 78747-70-3 Catalog No: AG0051GT MDL No:
Product Description
Catalog Number:
AG0051GT
Chemical Name:
Benzenamine, 3-[2-chloro-4-(trifluoromethyl)phenoxy]-
CAS Number:
78747-70-3
Molecular Formula:
C13H9ClF3NO
Molecular Weight:
287.6649
IUPAC Name:
3-[2-chloro-4-(trifluoromethyl)phenoxy]aniline
InChI:
InChI=1S/C13H9ClF3NO/c14-11-6-8(13(15,16)17)4-5-12(11)19-10-3-1-2-9(18)7-10/h1-7H,18H2
InChI Key:
HDEBLXPRSPLSDN-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)Oc1ccc(cc1Cl)C(F)(F)F
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.032g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
287.666g/mol
Monoisotopic Mass:
287.032g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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