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88897-38-5 | Undecanedioic acid, 6-bromo-, diethyl ester
CAS No: 88897-38-5 Catalog No: AG0049IU MDL No:
Product Description
Catalog Number:
AG0049IU
Chemical Name:
Undecanedioic acid, 6-bromo-, diethyl ester
CAS Number:
88897-38-5
Molecular Formula:
C15H27BrO4
Molecular Weight:
351.2765
IUPAC Name:
diethyl 6-bromoundecanedioate
InChI:
InChI=1S/C15H27BrO4/c1-3-19-14(17)11-7-5-9-13(16)10-6-8-12-15(18)20-4-2/h13H,3-12H2,1-2H3
InChI Key:
QDJBGNPFMURDCQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCCC(CCCCC(=O)OCC)Br
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.109g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
351.281g/mol
Monoisotopic Mass:
350.109g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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