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Home > Aldehydes > 1379586-00-1
1379586-00-1 | Benzaldehyde, 4-amino-3-bromo-5-fluoro-
CAS No: 1379586-00-1 Catalog No: AG0017Q7 MDL No:
Product Description
Catalog Number:
AG0017Q7
Chemical Name:
Benzaldehyde, 4-amino-3-bromo-5-fluoro-
CAS Number:
1379586-00-1
Molecular Formula:
C7H5BrFNO
Molecular Weight:
218.0231
IUPAC Name:
4-amino-3-bromo-5-fluorobenzaldehyde
InChI:
InChI=1S/C7H5BrFNO/c8-5-1-4(3-11)2-6(9)7(5)10/h1-3H,10H2
InChI Key:
HHAOUSFWMSPBAB-UHFFFAOYSA-N
SMILES:
O=Cc1cc(F)c(c(c1)Br)N
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.954g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.025g/mol
Monoisotopic Mass:
216.954g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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