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14115-05-0 | 1-Propanamine, N,N-dimethyl-3-[2-nitro-4-(trifluoromethyl)phenoxy]-
CAS No: 14115-05-0 Catalog No: AG001G0C MDL No:
Product Description
Catalog Number:
AG001G0C
Chemical Name:
1-Propanamine, N,N-dimethyl-3-[2-nitro-4-(trifluoromethyl)phenoxy]-
CAS Number:
14115-05-0
Molecular Formula:
C12H15F3N2O3
Molecular Weight:
292.2543
IUPAC Name:
N,N-dimethyl-3-[2-nitro-4-(trifluoromethyl)phenoxy]propan-1-amine
InChI:
InChI=1S/C12H15F3N2O3/c1-16(2)6-3-7-20-11-5-4-9(12(13,14)15)8-10(11)17(18)19/h4-5,8H,3,6-7H2,1-2H3
InChI Key:
HJVSAFGIRLANNS-UHFFFAOYSA-N
SMILES:
CN(CCCOc1ccc(cc1[N+](=O)[O-])C(F)(F)F)C
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.103g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.258g/mol
Monoisotopic Mass:
292.103g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
58.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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