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821777-29-1 | Ethanol, 2-[(cyclopropylmethyl)[4-nitro-3-(trifluoromethyl)phenyl]amino]-
CAS No: 821777-29-1 Catalog No: AG0057WJ MDL No:
Product Description
Catalog Number:
AG0057WJ
Chemical Name:
Ethanol, 2-[(cyclopropylmethyl)[4-nitro-3-(trifluoromethyl)phenyl]amino]-
CAS Number:
821777-29-1
Molecular Formula:
C13H15F3N2O3
Molecular Weight:
304.2650
IUPAC Name:
2-[N-(cyclopropylmethyl)-4-nitro-3-(trifluoromethyl)anilino]ethanol
InChI:
InChI=1S/C13H15F3N2O3/c14-13(15,16)11-7-10(3-4-12(11)18(20)21)17(5-6-19)8-9-1-2-9/h3-4,7,9,19H,1-2,5-6,8H2
InChI Key:
QBJFPKOVBFQYIU-UHFFFAOYSA-N
SMILES:
OCCN(c1ccc(c(c1)C(F)(F)F)[N+](=O)[O-])CC1CC1
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.103g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
304.269g/mol
Monoisotopic Mass:
304.103g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
69.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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