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10149-21-0 | Propanedioic acid, 2-(3-bromopropyl)-, 1,3-diethyl ester
CAS No: 10149-21-0 Catalog No: AG0004LW MDL No:
Product Description
Catalog Number:
AG0004LW
Chemical Name:
Propanedioic acid, 2-(3-bromopropyl)-, 1,3-diethyl ester
CAS Number:
10149-21-0
Molecular Formula:
C10H17BrO4
Molecular Weight:
281.1436
IUPAC Name:
diethyl 2-(3-bromopropyl)propanedioate
InChI:
InChI=1S/C10H17BrO4/c1-3-14-9(12)8(6-5-7-11)10(13)15-4-2/h8H,3-7H2,1-2H3
InChI Key:
XFJBYTQAUFEFQH-UHFFFAOYSA-N
SMILES:
BrCCCC(C(=O)OCC)C(=O)OCC
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.031g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.146g/mol
Monoisotopic Mass:
280.031g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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