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202586-61-6 | Hexanoic acid, 2-bromo-2-ethyl-, methyl ester
CAS No: 202586-61-6 Catalog No: AG0028BI MDL No:
Product Description
Catalog Number:
AG0028BI
Chemical Name:
Hexanoic acid, 2-bromo-2-ethyl-, methyl ester
CAS Number:
202586-61-6
Molecular Formula:
C9H17BrO2
Molecular Weight:
237.1341
IUPAC Name:
methyl 2-bromo-2-ethylhexanoate
InChI:
InChI=1S/C9H17BrO2/c1-4-6-7-9(10,5-2)8(11)12-3/h4-7H2,1-3H3
InChI Key:
OBVGYZKPNPLDPK-UHFFFAOYSA-N
SMILES:
CCCCC(C(=O)OC)(CC)Br
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.041g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.137g/mol
Monoisotopic Mass:
236.041g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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