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1017779-69-9 | Benzenamine, 3-fluoro-4-(trifluoromethoxy)-
CAS No: 1017779-69-9 Catalog No: AG0005HA MDL No:MFCD09832383
Product Description
Catalog Number:
AG0005HA
Chemical Name:
Benzenamine, 3-fluoro-4-(trifluoromethoxy)-
CAS Number:
1017779-69-9
Molecular Formula:
C7H5F4NO
Molecular Weight:
195.1143
MDL Number:
MFCD09832383
IUPAC Name:
3-fluoro-4-(trifluoromethoxy)aniline
InChI:
InChI=1S/C7H5F4NO/c8-5-3-4(12)1-2-6(5)13-7(9,10)11/h1-3H,12H2
InChI Key:
NDCPAIUBKAIJTK-UHFFFAOYSA-N
SMILES:
Nc1ccc(c(c1)F)OC(F)(F)F
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.031g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
195.117g/mol
Monoisotopic Mass:
195.031g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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