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Home > Bromides > 1245807-64-0
1245807-64-0 | 1,4-Benzenedicarboxylic acid, 2-bromo-5-fluoro-
CAS No: 1245807-64-0 Catalog No: AG000ME7 MDL No:MFCD11616082
Product Description
Catalog Number:
AG000ME7
Chemical Name:
1,4-Benzenedicarboxylic acid, 2-bromo-5-fluoro-
CAS Number:
1245807-64-0
Molecular Formula:
C8H4BrFO4
Molecular Weight:
263.0174
MDL Number:
MFCD11616082
IUPAC Name:
2-bromo-5-fluoroterephthalic acid
InChI:
InChI=1S/C8H4BrFO4/c9-5-1-4(8(13)14)6(10)2-3(5)7(11)12/h1-2H,(H,11,12)(H,13,14)
InChI Key:
NOWJAVVCARLMRF-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(Br)c(cc1F)C(=O)O
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.928g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
263.018g/mol
Monoisotopic Mass:
261.928g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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