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Home > Aldehydes > 1114809-05-0
1114809-05-0 | 3-BENZYLOXY-6-BROMO-2-FLUOROBENZALDEHYDE
CAS No: 1114809-05-0 Catalog No: AG0094LE MDL No:MFCD11110257
Product Description
Catalog Number:
AG0094LE
Chemical Name:
3-BENZYLOXY-6-BROMO-2-FLUOROBENZALDEHYDE
CAS Number:
1114809-05-0
Molecular Formula:
C14H10BrFO2
Molecular Weight:
309.1304
MDL Number:
MFCD11110257
IUPAC Name:
6-bromo-2-fluoro-3-phenylmethoxybenzaldehyde
InChI:
InChI=1S/C14H10BrFO2/c15-12-6-7-13(14(16)11(12)8-17)18-9-10-4-2-1-3-5-10/h1-8H,9H2
InChI Key:
GRIVHAIKQQBTIY-UHFFFAOYSA-N
SMILES:
O=Cc1c(Br)ccc(c1F)OCc1ccccc1
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.985g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
309.134g/mol
Monoisotopic Mass:
307.985g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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