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115416-50-7 | 1-Propanol, 3-[[4-nitro-3-(trifluoromethyl)phenyl]amino]-
CAS No: 115416-50-7 Catalog No: AG000FZ7 MDL No:
Product Description
Catalog Number:
AG000FZ7
Chemical Name:
1-Propanol, 3-[[4-nitro-3-(trifluoromethyl)phenyl]amino]-
CAS Number:
115416-50-7
Molecular Formula:
C10H11F3N2O3
Molecular Weight:
264.2011
IUPAC Name:
3-[4-nitro-3-(trifluoromethyl)anilino]propan-1-ol
InChI:
InChI=1S/C10H11F3N2O3/c11-10(12,13)8-6-7(14-4-1-5-16)2-3-9(8)15(17)18/h2-3,6,14,16H,1,4-5H2
InChI Key:
OULQLZUXDBHSNY-UHFFFAOYSA-N
SMILES:
OCCCNc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-]
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.072g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
264.204g/mol
Monoisotopic Mass:
264.072g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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