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1233958-43-4 | Cyclohexanol, 4-[(2-fluoro-6-nitrophenyl)amino]-, trans-
CAS No: 1233958-43-4 Catalog No: AG000KIB MDL No:MFCD14697980
Product Description
Catalog Number:
AG000KIB
Chemical Name:
Cyclohexanol, 4-[(2-fluoro-6-nitrophenyl)amino]-, trans-
CAS Number:
1233958-43-4
Molecular Formula:
C12H15FN2O3
Molecular Weight:
254.2575
MDL Number:
MFCD14697980
IUPAC Name:
4-(2-fluoro-6-nitroanilino)cyclohexan-1-ol
InChI:
InChI=1S/C12H15FN2O3/c13-10-2-1-3-11(15(17)18)12(10)14-8-4-6-9(16)7-5-8/h1-3,8-9,14,16H,4-7H2
InChI Key:
DOCJRGFQFWNBLW-UHFFFAOYSA-N
SMILES:
O[C@@H]1CC[C@H](CC1)Nc1c(F)cccc1[N+](=O)[O-]
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.107g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
254.261g/mol
Monoisotopic Mass:
254.107g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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