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94569-84-3 | 2-Bromo-5-fluorobenzaldehyde
CAS No: 94569-84-3 Catalog No: AG00335L MDL No:MFCD00142872
Product Description
Catalog Number:
AG00335L
Chemical Name:
2-Bromo-5-fluorobenzaldehyde
CAS Number:
94569-84-3
Molecular Formula:
C7H4BrFO
Molecular Weight:
203.0085
MDL Number:
MFCD00142872
IUPAC Name:
2-bromo-5-fluorobenzaldehyde
InChI:
InChI=1S/C7H4BrFO/c8-7-2-1-6(9)3-5(7)4-10/h1-4H
InChI Key:
CJUCIKJLMFVWIS-UHFFFAOYSA-N
SMILES:
O=Cc1cc(F)ccc1Br
Properties
Complexity:
129
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.943g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.01g/mol
Monoisotopic Mass:
201.943g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| 5-Fluoro-1,3-dihydro-2,1-benzoxaborol-1-ol. | Acta crystallographica. Section E, Structure reports online 20110201 |
| Vibrational spectra, ab initio/DFT electronic structure calculations, and normal coordinate analysis of 2-bromo-5-fluorobenzaldehyde. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20091201 |
| Ethyl 4-(2-bromo-5-fluoro-phen-yl)-6-methyl-1-phenyl-2-thioxo-1,2,3,4-tetra-hydro-pyrimidine-5-carboxyl-ate. | Acta crystallographica. Section E, Structure reports online 20080801 |
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