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155854-29-8 | Benzene, 1-bromo-4-butoxy-2-fluoro-
CAS No: 155854-29-8 Catalog No: AG001OAC MDL No:MFCD17011995
Product Description
Catalog Number:
AG001OAC
Chemical Name:
Benzene, 1-bromo-4-butoxy-2-fluoro-
CAS Number:
155854-29-8
Molecular Formula:
C10H12BrFO
Molecular Weight:
247.1041
MDL Number:
MFCD17011995
IUPAC Name:
1-bromo-4-butoxy-2-fluorobenzene
InChI:
InChI=1S/C10H12BrFO/c1-2-3-6-13-8-4-5-9(11)10(12)7-8/h4-5,7H,2-3,6H2,1H3
InChI Key:
QQZQZZKHAQDOQS-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(c(c1)F)Br
Properties
Complexity:
143
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.006g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.107g/mol
Monoisotopic Mass:
246.006g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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