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130232-43-8 | Propanoic acid, 2-bromo-, 1-methylheptyl ester
CAS No: 130232-43-8 Catalog No: AG000U6R MDL No:
Product Description
Catalog Number:
AG000U6R
Chemical Name:
Propanoic acid, 2-bromo-, 1-methylheptyl ester
CAS Number:
130232-43-8
Molecular Formula:
C11H21BrO2
Molecular Weight:
265.1872
IUPAC Name:
octan-2-yl 2-bromopropanoate
InChI:
InChI=1S/C11H21BrO2/c1-4-5-6-7-8-9(2)14-11(13)10(3)12/h9-10H,4-8H2,1-3H3
InChI Key:
JRLNZNCOQCBRDL-UHFFFAOYSA-N
SMILES:
CCCCCCC(OC(=O)C(Br)C)C
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.072g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.191g/mol
Monoisotopic Mass:
264.072g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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