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111721-75-6 | 2-Bromo-3-fluoroaniline
CAS No: 111721-75-6 Catalog No: AG003GMR MDL No:MFCD07369915
Product Description
Catalog Number:
AG003GMR
Chemical Name:
2-Bromo-3-fluoroaniline
CAS Number:
111721-75-6
Molecular Formula:
C6H5BrFN
Molecular Weight:
190.0130
MDL Number:
MFCD07369915
IUPAC Name:
2-bromo-3-fluoroaniline
InChI:
InChI=1S/C6H5BrFN/c7-6-4(8)2-1-3-5(6)9/h1-3H,9H2
InChI Key:
XZRSXRUYZXBTGD-UHFFFAOYSA-N
SMILES:
Brc1c(N)cccc1F
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
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