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821778-33-0 | Benzenamine, 4-bromo-N,N-bis(2,2,2-trifluoroethyl)-3-(trifluoromethyl)-
CAS No: 821778-33-0 Catalog No: AG005IT5 MDL No:
Product Description
Catalog Number:
AG005IT5
Chemical Name:
Benzenamine, 4-bromo-N,N-bis(2,2,2-trifluoroethyl)-3-(trifluoromethyl)-
CAS Number:
821778-33-0
Molecular Formula:
C11H7BrF9N
Molecular Weight:
404.0696
IUPAC Name:
4-bromo-N,N-bis(2,2,2-trifluoroethyl)-3-(trifluoromethyl)aniline
InChI:
InChI=1S/C11H7BrF9N/c12-8-2-1-6(3-7(8)11(19,20)21)22(4-9(13,14)15)5-10(16,17)18/h1-3H,4-5H2
InChI Key:
IPKMVOJFFBKQIL-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1C(F)(F)F)N(CC(F)(F)F)CC(F)(F)F
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
402.962g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
404.074g/mol
Monoisotopic Mass:
402.962g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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