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823216-26-8 | Benzenamine, 4-bromo-N-decyl-3-(trifluoromethyl)-
CAS No: 823216-26-8 Catalog No: AG0054J2 MDL No:
Product Description
Catalog Number:
AG0054J2
Chemical Name:
Benzenamine, 4-bromo-N-decyl-3-(trifluoromethyl)-
CAS Number:
823216-26-8
Molecular Formula:
C17H25BrF3N
Molecular Weight:
380.2863
IUPAC Name:
4-bromo-N-decyl-3-(trifluoromethyl)aniline
InChI:
InChI=1S/C17H25BrF3N/c1-2-3-4-5-6-7-8-9-12-22-14-10-11-16(18)15(13-14)17(19,20)21/h10-11,13,22H,2-9,12H2,1H3
InChI Key:
MHLZDHGQOQGLHZ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCNc1ccc(c(c1)C(F)(F)F)Br
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
379.112g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
380.293g/mol
Monoisotopic Mass:
379.112g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8
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