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Home > Aldehydes > 1781495-03-1
1781495-03-1 | Benzaldehyde, 2-bromo-3-fluoro-6-methyl-
CAS No: 1781495-03-1 Catalog No: AG0025S6 MDL No:
Product Description
Catalog Number:
AG0025S6
Chemical Name:
Benzaldehyde, 2-bromo-3-fluoro-6-methyl-
CAS Number:
1781495-03-1
Molecular Formula:
C8H6BrFO
Molecular Weight:
217.0350
IUPAC Name:
2-bromo-3-fluoro-6-methylbenzaldehyde
InChI:
InChI=1S/C8H6BrFO/c1-5-2-3-7(10)8(9)6(5)4-11/h2-4H,1H3
InChI Key:
LCZKECVHONRYFO-UHFFFAOYSA-N
SMILES:
O=Cc1c(C)ccc(c1Br)F
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.959g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.037g/mol
Monoisotopic Mass:
215.959g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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