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26040-74-4 | Heptanoic acid, 2-bromo-, methyl ester
CAS No: 26040-74-4 Catalog No: AG002RH6 MDL No:
Product Description
Catalog Number:
AG002RH6
Chemical Name:
Heptanoic acid, 2-bromo-, methyl ester
CAS Number:
26040-74-4
Molecular Formula:
C8H15BrO2
Molecular Weight:
223.1075
IUPAC Name:
methyl 2-bromoheptanoate
InChI:
InChI=1S/C8H15BrO2/c1-3-4-5-6-7(9)8(10)11-2/h7H,3-6H2,1-2H3
InChI Key:
XEENYBWXUFATQF-UHFFFAOYSA-N
SMILES:
CCCCCC(C(=O)OC)Br
Properties
Complexity:
115
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.026g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.11g/mol
Monoisotopic Mass:
222.026g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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