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933671-89-7 | 5-BROMO-2-FLUOROBENZALDEHYDE DIMETHYL ACETAL
CAS No: 933671-89-7 Catalog No: AG006GB1 MDL No:
Product Description
Catalog Number:
AG006GB1
Chemical Name:
5-BROMO-2-FLUOROBENZALDEHYDE DIMETHYL ACETAL
CAS Number:
933671-89-7
Molecular Formula:
C9H10BrFO2
Molecular Weight:
249.0769
IUPAC Name:
4-bromo-2-(dimethoxymethyl)-1-fluorobenzene
InChI:
InChI=1S/C9H10BrFO2/c1-12-9(13-2)7-5-6(10)3-4-8(7)11/h3-5,9H,1-2H3
InChI Key:
QIFYKNWELKBCPS-UHFFFAOYSA-N
SMILES:
COC(c1cc(Br)ccc1F)OC
EC Number:
618-933-2
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.985g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.079g/mol
Monoisotopic Mass:
247.985g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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