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89289-84-9 | Benzenamine, 4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-methoxy-
CAS No: 89289-84-9 Catalog No: AG00414O MDL No:
Product Description
Catalog Number:
AG00414O
Chemical Name:
Benzenamine, 4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-methoxy-
CAS Number:
89289-84-9
Molecular Formula:
C14H11ClF3NO2
Molecular Weight:
317.6908
IUPAC Name:
4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-methoxyaniline
InChI:
InChI=1S/C14H11ClF3NO2/c1-20-13-7-9(3-4-11(13)19)21-12-5-2-8(6-10(12)15)14(16,17)18/h2-7H,19H2,1H3
InChI Key:
SHQSZHJGGRNHSN-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1N)Oc1ccc(cc1Cl)C(F)(F)F
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.043g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
317.692g/mol
Monoisotopic Mass:
317.043g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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