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868-68-8 | Diethyl 2,6-dibromoheptanedioate
CAS No: 868-68-8 Catalog No: AG004PIS MDL No:MFCD00087327
Product Description
Catalog Number:
AG004PIS
Chemical Name:
Diethyl 2,6-dibromoheptanedioate
CAS Number:
868-68-8
Molecular Formula:
C11H18Br2O4
Molecular Weight:
374.0662
MDL Number:
MFCD00087327
IUPAC Name:
diethyl 2,6-dibromoheptanedioate
InChI:
InChI=1S/C11H18Br2O4/c1-3-16-10(14)8(12)6-5-7-9(13)11(15)17-4-2/h8-9H,3-7H2,1-2H3
InChI Key:
SPJSPERKKWTTBF-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(CCCC(C(=O)OCC)Br)Br
EC Number:
212-781-7
NSC Number:
7735
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
373.955g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
374.069g/mol
Monoisotopic Mass:
371.957g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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