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1215206-44-2 | Benzenamine, 4-bromo-N-methyl-2-(trifluoromethyl)-, hydrochloride (1:1)
CAS No: 1215206-44-2 Catalog No: AG00156L MDL No:MFCD13195689
Product Description
Catalog Number:
AG00156L
Chemical Name:
Benzenamine, 4-bromo-N-methyl-2-(trifluoromethyl)-, hydrochloride (1:1)
CAS Number:
1215206-44-2
Molecular Formula:
C8H8BrClF3N
Molecular Weight:
290.5080
MDL Number:
MFCD13195689
IUPAC Name:
4-bromo-N-methyl-2-(trifluoromethyl)aniline;hydrochloride
InChI:
InChI=1S/C8H7BrF3N.ClH/c1-13-7-3-2-5(9)4-6(7)8(10,11)12;/h2-4,13H,1H3;1H
InChI Key:
NYAIXVCTVBCALD-UHFFFAOYSA-N
SMILES:
CNc1ccc(cc1C(F)(F)F)Br.Cl
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.948g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
290.508g/mol
Monoisotopic Mass:
288.948g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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