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73839-25-5 | tert-Butyl 6-[O-(2-Bromoethyl)phosphoryl)hydroxyhexanoate
CAS No: 73839-25-5 Catalog No: AG005KBE MDL No:
Product Description
Catalog Number:
AG005KBE
Chemical Name:
tert-Butyl 6-[O-(2-Bromoethyl)phosphoryl)hydroxyhexanoate
CAS Number:
73839-25-5
Molecular Formula:
C12H24BrO6P
Molecular Weight:
375.1931
IUPAC Name:
tert-butyl 6-[2-bromoethoxy(hydroxy)phosphoryl]oxyhexanoate
InChI:
InChI=1S/C12H24BrO6P/c1-12(2,3)19-11(14)7-5-4-6-9-17-20(15,16)18-10-8-13/h4-10H2,1-3H3,(H,15,16)
InChI Key:
GHEJQXFKWXUVRC-UHFFFAOYSA-N
SMILES:
BrCCOP(=O)(OCCCCCC(=O)OC(C)(C)C)O
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.049g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
375.196g/mol
Monoisotopic Mass:
374.049g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
82.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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