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Home > Bromides > 1226808-62-3
1226808-62-3 | Benzene, 2-bromo-4-fluoro-3-methoxy-1-methyl-
CAS No: 1226808-62-3 Catalog No: AG0017M4 MDL No:MFCD16295102
Product Description
Catalog Number:
AG0017M4
Chemical Name:
Benzene, 2-bromo-4-fluoro-3-methoxy-1-methyl-
CAS Number:
1226808-62-3
Molecular Formula:
C8H8BrFO
Molecular Weight:
219.0509
MDL Number:
MFCD16295102
IUPAC Name:
3-bromo-1-fluoro-2-methoxy-4-methylbenzene
InChI:
InChI=1S/C8H8BrFO/c1-5-3-4-6(10)8(11-2)7(5)9/h3-4H,1-2H3
InChI Key:
WMVJNOVUUDBCEQ-UHFFFAOYSA-N
SMILES:
COc1c(F)ccc(c1Br)C
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.974g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.053g/mol
Monoisotopic Mass:
217.974g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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