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Home > Bromides > 1314671-09-4
1314671-09-4 | Benzeneacetic acid, 4-bromo-2-fluoro-α,α-dimethyl-
CAS No: 1314671-09-4 Catalog No: AG000W8A MDL No:MFCD19695484
Product Description
Catalog Number:
AG000W8A
Chemical Name:
Benzeneacetic acid, 4-bromo-2-fluoro-α,α-dimethyl-
CAS Number:
1314671-09-4
Molecular Formula:
C10H10BrFO2
Molecular Weight:
261.0876
MDL Number:
MFCD19695484
IUPAC Name:
2-(4-bromo-2-fluorophenyl)-2-methylpropanoic acid
InChI:
InChI=1S/C10H10BrFO2/c1-10(2,9(13)14)7-4-3-6(11)5-8(7)12/h3-5H,1-2H3,(H,13,14)
InChI Key:
ODHFDRDHMWQTHI-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)F)C(C(=O)O)(C)C
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.985g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.09g/mol
Monoisotopic Mass:
259.985g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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