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Home > Bromides > 1228957-07-0
1228957-07-0 | Benzene, 1-bromo-3-fluoro-2-methoxy-4-(phenylmethoxy)-
CAS No: 1228957-07-0 Catalog No: AG000JQB MDL No:MFCD16618958
Product Description
Catalog Number:
AG000JQB
Chemical Name:
Benzene, 1-bromo-3-fluoro-2-methoxy-4-(phenylmethoxy)-
CAS Number:
1228957-07-0
Molecular Formula:
C14H12BrFO2
Molecular Weight:
311.1463
MDL Number:
MFCD16618958
IUPAC Name:
1-bromo-3-fluoro-2-methoxy-4-phenylmethoxybenzene
InChI:
InChI=1S/C14H12BrFO2/c1-17-14-11(15)7-8-12(13(14)16)18-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3
InChI Key:
YQSYBUBTVOCLQD-UHFFFAOYSA-N
SMILES:
COc1c(Br)ccc(c1F)OCc1ccccc1
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.15g/mol
Monoisotopic Mass:
310g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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