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887585-64-0 | 5-Bromo-2,3-difluorobenzoic acid
CAS No: 887585-64-0 Catalog No: AG004DQP MDL No:MFCD04972472
Product Description
Catalog Number:
AG004DQP
Chemical Name:
5-Bromo-2,3-difluorobenzoic acid
CAS Number:
887585-64-0
Molecular Formula:
C7H3BrF2O2
Molecular Weight:
236.9983
MDL Number:
MFCD04972472
IUPAC Name:
5-bromo-2,3-difluorobenzoic acid
InChI:
InChI=1S/C7H3BrF2O2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,(H,11,12)
InChI Key:
IOYATAKVVIXJQT-UHFFFAOYSA-N
SMILES:
Brc1cc(F)c(c(c1)C(=O)O)F
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.928g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237g/mol
Monoisotopic Mass:
235.928g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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