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1003-98-1 | Benzenamine, 2-bromo-4-fluoro-
CAS No: 1003-98-1 Catalog No: AG0001J9 MDL No:MFCD00042462
Product Description
Catalog Number:
AG0001J9
Chemical Name:
Benzenamine, 2-bromo-4-fluoro-
CAS Number:
1003-98-1
Molecular Formula:
C6H5BrFN
Molecular Weight:
190.0130
MDL Number:
MFCD00042462
IUPAC Name:
2-bromo-4-fluoroaniline
InChI:
InChI=1S/C6H5BrFN/c7-5-3-4(8)1-2-6(5)9/h1-3H,9H2
InChI Key:
YLMFXCIATJJKQL-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)Br)N
NSC Number:
51870
Properties
Complexity:
99.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.959g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
190.015g/mol
Monoisotopic Mass:
188.959g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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