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Home > Bromides > 1263376-61-9
1263376-61-9 | 2,5-Dibromo-3,6-difluorobenzoic acid
CAS No: 1263376-61-9 Catalog No: AG01FDGX MDL No:MFCD18379859
Product Description
Catalog Number:
AG01FDGX
Chemical Name:
2,5-Dibromo-3,6-difluorobenzoic acid
CAS Number:
1263376-61-9
Molecular Formula:
C7H2Br2F2O2
Molecular Weight:
315.8944
MDL Number:
MFCD18379859
IUPAC Name:
2,5-dibromo-3,6-difluorobenzoic acid
InChI:
InChI=1S/C7H2Br2F2O2/c8-2-1-3(10)5(9)4(6(2)11)7(12)13/h1H,(H,12,13)
InChI Key:
ADTKZZCYCASGJX-UHFFFAOYSA-N
SMILES:
Brc1cc(F)c(c(c1F)C(=O)O)Br
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.837g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
315.896g/mol
Monoisotopic Mass:
313.839g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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