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845829-94-9 | 1-Bromo-3-fluoro-2-methoxybenzene
CAS No: 845829-94-9 Catalog No: AG004UEE MDL No:MFCD04974125
Product Description
Catalog Number:
AG004UEE
Chemical Name:
1-Bromo-3-fluoro-2-methoxybenzene
CAS Number:
845829-94-9
Molecular Formula:
C7H6BrFO
Molecular Weight:
205.0243
MDL Number:
MFCD04974125
IUPAC Name:
1-bromo-3-fluoro-2-methoxybenzene
InChI:
InChI=1S/C7H6BrFO/c1-10-7-5(8)3-2-4-6(7)9/h2-4H,1H3
InChI Key:
RLSQPLJXDTXSCL-UHFFFAOYSA-N
SMILES:
COc1c(F)cccc1Br
Properties
Complexity:
110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.959g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.026g/mol
Monoisotopic Mass:
203.959g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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