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1467-18-1 | Butane, 2-bromo-1-butoxy-1,3-diethoxy-
CAS No: 1467-18-1 Catalog No: AG001E8M MDL No:
Product Description
Catalog Number:
AG001E8M
Chemical Name:
Butane, 2-bromo-1-butoxy-1,3-diethoxy-
CAS Number:
1467-18-1
Molecular Formula:
C12H25BrO3
Molecular Weight:
297.2291
IUPAC Name:
2-bromo-1-butoxy-1,3-diethoxybutane
InChI:
InChI=1S/C12H25BrO3/c1-5-8-9-16-12(15-7-3)11(13)10(4)14-6-2/h10-12H,5-9H2,1-4H3
InChI Key:
FJVDJAMHENKXLF-UHFFFAOYSA-N
SMILES:
CCCCOC(C(C(OCC)C)Br)OCC
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.099g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.233g/mol
Monoisotopic Mass:
296.099g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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