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85070-47-9 | 1-(Bromomethyl)-3-chloro-2-fluorobenzene
CAS No: 85070-47-9 Catalog No: AG003J6W MDL No:MFCD00042503
Product Description
Catalog Number:
AG003J6W
Chemical Name:
1-(Bromomethyl)-3-chloro-2-fluorobenzene
CAS Number:
85070-47-9
Molecular Formula:
C7H5BrClF
Molecular Weight:
223.4700
MDL Number:
MFCD00042503
IUPAC Name:
1-(bromomethyl)-3-chloro-2-fluorobenzene
InChI:
InChI=1S/C7H5BrClF/c8-4-5-2-1-3-6(9)7(5)10/h1-3H,4H2
InChI Key:
HYILLTADABKYHO-UHFFFAOYSA-N
SMILES:
BrCc1cccc(c1F)Cl
Properties
Complexity:
110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.925g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.469g/mol
Monoisotopic Mass:
221.925g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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