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75131-22-5 | N-[[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]amino]formamide
CAS No: 75131-22-5 Catalog No: AG0056KR MDL No:
Product Description
Catalog Number:
AG0056KR
Chemical Name:
N-[[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]amino]formamide
CAS Number:
75131-22-5
Molecular Formula:
C14H9ClF3N3O4
Molecular Weight:
375.6872
IUPAC Name:
N-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitroanilino]formamide
InChI:
InChI=1S/C14H9ClF3N3O4/c15-10-5-8(14(16,17)18)1-4-13(10)25-9-2-3-12(21(23)24)11(6-9)20-19-7-22/h1-7,20H,(H,19,22)
InChI Key:
LILYPFQAEADVAS-UHFFFAOYSA-N
SMILES:
O=CNNc1cc(ccc1[N+](=O)[O-])Oc1ccc(cc1Cl)C(F)(F)F
Properties
Complexity:
477
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
375.023g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
375.688g/mol
Monoisotopic Mass:
375.023g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
96.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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