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133057-82-6 | Benzene, 4-bromo-2-fluoro-1-(phenylmethoxy)-
CAS No: 133057-82-6 Catalog No: AG0011L2 MDL No:MFCD09025319
Product Description
Catalog Number:
AG0011L2
Chemical Name:
Benzene, 4-bromo-2-fluoro-1-(phenylmethoxy)-
CAS Number:
133057-82-6
Molecular Formula:
C13H10BrFO
Molecular Weight:
281.1203
MDL Number:
MFCD09025319
IUPAC Name:
4-bromo-2-fluoro-1-phenylmethoxybenzene
InChI:
InChI=1S/C13H10BrFO/c14-11-6-7-13(12(15)8-11)16-9-10-4-2-1-3-5-10/h1-8H,9H2
InChI Key:
HCVUDNMNSPYSHS-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)F)OCc1ccccc1
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.99g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.124g/mol
Monoisotopic Mass:
279.99g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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