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85600-16-4 | Benzenamine, 2-bromo-N-[3-(trifluoromethyl)phenyl]-
CAS No: 85600-16-4 Catalog No: AG005144 MDL No:
Product Description
Catalog Number:
AG005144
Chemical Name:
Benzenamine, 2-bromo-N-[3-(trifluoromethyl)phenyl]-
CAS Number:
85600-16-4
Molecular Formula:
C13H9BrF3N
Molecular Weight:
316.1165
IUPAC Name:
2-bromo-N-[3-(trifluoromethyl)phenyl]aniline
InChI:
InChI=1S/C13H9BrF3N/c14-11-6-1-2-7-12(11)18-10-5-3-4-9(8-10)13(15,16)17/h1-8,18H
InChI Key:
UJBIBLAIZTVPPQ-UHFFFAOYSA-N
SMILES:
Brc1ccccc1Nc1cccc(c1)C(F)(F)F
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.987g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
316.121g/mol
Monoisotopic Mass:
314.987g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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