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289038-14-8 | Benzenemethanamine, 2-bromo-4-fluoro-, hydrochloride (1:1)
CAS No: 289038-14-8 Catalog No: AG002X0G MDL No:MFCD00672922
Product Description
Catalog Number:
AG002X0G
Chemical Name:
Benzenemethanamine, 2-bromo-4-fluoro-, hydrochloride (1:1)
CAS Number:
289038-14-8
Molecular Formula:
C7H8BrClFN
Molecular Weight:
240.5005
MDL Number:
MFCD00672922
IUPAC Name:
(2-bromo-4-fluorophenyl)methanamine;hydrochloride
InChI:
InChI=1S/C7H7BrFN.ClH/c8-7-3-6(9)2-1-5(7)4-10;/h1-3H,4,10H2;1H
InChI Key:
PBCSNHSXUSMNOV-UHFFFAOYSA-N
SMILES:
NCc1ccc(cc1Br)F.Cl
EC Number:
608-273-3
Properties
Complexity:
110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.951g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
240.5g/mol
Monoisotopic Mass:
238.951g/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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