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141080-73-1 | Benzene, 4-(bromomethyl)-1-fluoro-2-methoxy-
CAS No: 141080-73-1 Catalog No: AG001FV9 MDL No:MFCD04972878
Product Description
Catalog Number:
AG001FV9
Chemical Name:
Benzene, 4-(bromomethyl)-1-fluoro-2-methoxy-
CAS Number:
141080-73-1
Molecular Formula:
C8H8BrFO
Molecular Weight:
219.0509
MDL Number:
MFCD04972878
IUPAC Name:
4-(bromomethyl)-1-fluoro-2-methoxybenzene
InChI:
InChI=1S/C8H8BrFO/c1-11-8-4-6(5-9)2-3-7(8)10/h2-4H,5H2,1H3
InChI Key:
XRLJROQMXLOJFO-UHFFFAOYSA-N
SMILES:
COc1cc(CBr)ccc1F
Properties
Complexity:
121
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.974g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.053g/mol
Monoisotopic Mass:
217.974g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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