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Home > Bromides > 1214352-42-7
1214352-42-7 | Benzoic acid, 3,6-dibromo-2-fluoro-
CAS No: 1214352-42-7 Catalog No: AG0014W5 MDL No:MFCD11040409
Product Description
Catalog Number:
AG0014W5
Chemical Name:
Benzoic acid, 3,6-dibromo-2-fluoro-
CAS Number:
1214352-42-7
Molecular Formula:
C7H3Br2FO2
Molecular Weight:
297.9039
MDL Number:
MFCD11040409
IUPAC Name:
3,6-dibromo-2-fluorobenzoic acid
InChI:
InChI=1S/C7H3Br2FO2/c8-3-1-2-4(9)6(10)5(3)7(11)12/h1-2H,(H,11,12)
InChI Key:
XUWXFNAXMCSSJT-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1F)C(=O)O)Br
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.846g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
297.905g/mol
Monoisotopic Mass:
295.848g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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