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144329-41-9 | 2-Pentanone, 3-bromo-4-(2-bromoethoxy)-4-methyl-
CAS No: 144329-41-9 Catalog No: AG001JBI MDL No:
Product Description
Catalog Number:
AG001JBI
Chemical Name:
2-Pentanone, 3-bromo-4-(2-bromoethoxy)-4-methyl-
CAS Number:
144329-41-9
Molecular Formula:
C8H14Br2O2
Molecular Weight:
302.0036
IUPAC Name:
3-bromo-4-(2-bromoethoxy)-4-methylpentan-2-one
InChI:
InChI=1S/C8H14Br2O2/c1-6(11)7(10)8(2,3)12-5-4-9/h7H,4-5H2,1-3H3
InChI Key:
JVWSYXWWGWGYRI-UHFFFAOYSA-N
SMILES:
BrCCOC(C(C(=O)C)Br)(C)C
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.934g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.006g/mol
Monoisotopic Mass:
299.936g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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