Home Halogens 2-Propenoic acid, 6-bromohexyl ester

2-Propenoic acid, 6-bromohexyl ester

CAS No.:
112231-58-0
Catalog Number:
AG007U1R
Molecular Formula:
C9H15BrO2
Molecular Weight:
235.1182
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Product Description
Catalog Number:
AG007U1R
Chemical Name:
2-Propenoic acid, 6-bromohexyl ester
CAS Number:
112231-58-0
Molecular Formula:
C9H15BrO2
Molecular Weight:
235.1182
IUPAC Name:
6-bromohexyl prop-2-enoate
InChI:
InChI=1S/C9H15BrO2/c1-2-9(11)12-8-6-4-3-5-7-10/h2H,1,3-8H2
InChI Key:
JJOQTVHKJHBXEZ-UHFFFAOYSA-N
SMILES:
BrCCCCCCOC(=O)C=C
Properties
Complexity:
135  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.026g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.121g/mol
Monoisotopic Mass:
234.026g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties