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1174029-29-8 | Benzenamine, 4-bromo-2-fluoro-, hydrochloride (1:1)
CAS No: 1174029-29-8 Catalog No: AG000E9B MDL No:
Product Description
Catalog Number:
AG000E9B
Chemical Name:
Benzenamine, 4-bromo-2-fluoro-, hydrochloride (1:1)
CAS Number:
1174029-29-8
Molecular Formula:
C6H6BrClFN
Molecular Weight:
226.4739
IUPAC Name:
4-bromo-2-fluoroaniline;hydrochloride
InChI:
InChI=1S/C6H5BrFN.ClH/c7-4-1-2-6(9)5(8)3-4;/h1-3H,9H2;1H
InChI Key:
SAIDHIHJVZUPGX-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)F)N.Cl
EC Number:
921-041-9
Properties
Complexity:
99.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.936g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
226.473g/mol
Monoisotopic Mass:
224.936g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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