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Home > Bromides > 1555757-16-8
1555757-16-8 | 1,4-Benzenedicarboxylic acid, 2-bromo-5-fluoro-3,6-dimethyl-
CAS No: 1555757-16-8 Catalog No: AG001NZM MDL No:
Product Description
Catalog Number:
AG001NZM
Chemical Name:
1,4-Benzenedicarboxylic acid, 2-bromo-5-fluoro-3,6-dimethyl-
CAS Number:
1555757-16-8
Molecular Formula:
C10H8BrFO4
Molecular Weight:
291.0705
IUPAC Name:
2-bromo-5-fluoro-3,6-dimethylterephthalic acid
InChI:
InChI=1S/C10H8BrFO4/c1-3-6(10(15)16)8(12)4(2)5(7(3)11)9(13)14/h1-2H3,(H,13,14)(H,15,16)
InChI Key:
XFCOWGKHOZPULW-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(C)c(F)c(c(c1Br)C)C(=O)O
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.959g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
291.072g/mol
Monoisotopic Mass:
289.959g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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