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123563-83-7 | 2-Propenoic acid, 8-bromooctyl ester
CAS No: 123563-83-7 Catalog No: AG000KSL MDL No:
Product Description
Catalog Number:
AG000KSL
Chemical Name:
2-Propenoic acid, 8-bromooctyl ester
CAS Number:
123563-83-7
Molecular Formula:
C11H19BrO2
Molecular Weight:
263.1714
IUPAC Name:
8-bromooctyl prop-2-enoate
InChI:
InChI=1S/C11H19BrO2/c1-2-11(13)14-10-8-6-4-3-5-7-9-12/h2H,1,3-10H2
InChI Key:
DTFCWOHTJUOGQI-UHFFFAOYSA-N
SMILES:
BrCCCCCCCCOC(=O)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:
262.057g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.175g/mol
Monoisotopic Mass:
262.057g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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