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Home > Bromides > 1782774-05-3
1782774-05-3 | 3-Bromo-5-fluoro-2-isopropoxybenzoic acid
CAS No: 1782774-05-3 Catalog No: AG01FBPP MDL No:MFCD28396360
Product Description
Catalog Number:
AG01FBPP
Chemical Name:
3-Bromo-5-fluoro-2-isopropoxybenzoic acid
CAS Number:
1782774-05-3
Molecular Formula:
C10H10BrFO3
Molecular Weight:
277.0870
MDL Number:
MFCD28396360
IUPAC Name:
3-bromo-5-fluoro-2-propan-2-yloxybenzoic acid
InChI:
InChI=1S/C10H10BrFO3/c1-5(2)15-9-7(10(13)14)3-6(12)4-8(9)11/h3-5H,1-2H3,(H,13,14)
InChI Key:
JIZXMPMMDIRVEZ-UHFFFAOYSA-N
SMILES:
CC(Oc1c(Br)cc(cc1C(=O)O)F)C
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.98g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
277.089g/mol
Monoisotopic Mass:
275.98g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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