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1214327-18-0 | Benzenemethanamine, 3-bromo-4-(trifluoromethyl)-, hydrochloride (1:1)
CAS No: 1214327-18-0 Catalog No: AG0014RN MDL No:MFCD13185408
Product Description
Catalog Number:
AG0014RN
Chemical Name:
Benzenemethanamine, 3-bromo-4-(trifluoromethyl)-, hydrochloride (1:1)
CAS Number:
1214327-18-0
Molecular Formula:
C8H8BrClF3N
Molecular Weight:
290.5080
MDL Number:
MFCD13185408
IUPAC Name:
[3-bromo-4-(trifluoromethyl)phenyl]methanamine;hydrochloride
InChI:
InChI=1S/C8H7BrF3N.ClH/c9-7-3-5(4-13)1-2-6(7)8(10,11)12;/h1-3H,4,13H2;1H
InChI Key:
HORZWZPMQXTRCI-UHFFFAOYSA-N
SMILES:
NCc1ccc(c(c1)Br)C(F)(F)F.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:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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