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749932-17-0 | 4-Bromo-1-(difluoromethyl);-2-fluorobenzene
CAS No: 749932-17-0 Catalog No: AG003KUM MDL No:MFCD06657963
Product Description
Catalog Number:
AG003KUM
Chemical Name:
4-Bromo-1-(difluoromethyl);-2-fluorobenzene
CAS Number:
749932-17-0
Molecular Formula:
C7H4BrF3
Molecular Weight:
225.0059
MDL Number:
MFCD06657963
IUPAC Name:
4-bromo-1-(difluoromethyl)-2-fluorobenzene
InChI:
InChI=1S/C7H4BrF3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,7H
InChI Key:
WRTTUKLMUOEXBS-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)F)C(F)F
Properties
Complexity:
129
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.945g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.008g/mol
Monoisotopic Mass:
223.945g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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