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1781579-84-7 | 3-Bromo-5-fluoro-2-isopropoxybenzaldehyde
CAS No: 1781579-84-7 Catalog No: AG01FBPO MDL No:MFCD28396359
Product Description
Catalog Number:
AG01FBPO
Chemical Name:
3-Bromo-5-fluoro-2-isopropoxybenzaldehyde
CAS Number:
1781579-84-7
Molecular Formula:
C10H10BrFO2
Molecular Weight:
261.0876
MDL Number:
MFCD28396359
IUPAC Name:
3-bromo-5-fluoro-2-propan-2-yloxybenzaldehyde
InChI:
InChI=1S/C10H10BrFO2/c1-6(2)14-10-7(5-13)3-8(12)4-9(10)11/h3-6H,1-2H3
InChI Key:
NMIPGFRJIABTEO-UHFFFAOYSA-N
SMILES:
O=Cc1cc(F)cc(c1OC(C)C)Br
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.985g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.09g/mol
Monoisotopic Mass:
259.985g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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