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124439-30-1 | Hexanoic acid, 2-bromo-, ethyl ester, (R)- (9CI)
CAS No: 124439-30-1 Catalog No: AG000M0F MDL No:
Product Description
Catalog Number:
AG000M0F
Chemical Name:
Hexanoic acid, 2-bromo-, ethyl ester, (R)- (9CI)
CAS Number:
124439-30-1
Molecular Formula:
C8H15BrO2
Molecular Weight:
223.1075
IUPAC Name:
ethyl (2R)-2-bromohexanoate
InChI:
InChI=1S/C8H15BrO2/c1-3-5-6-7(9)8(10)11-4-2/h7H,3-6H2,1-2H3/t7-/m1/s1
InChI Key:
KOUAQOCYMAENKN-SSDOTTSWSA-N
SMILES:
CCCC[C@H](C(=O)OCC)Br
UNII:
UE2060FOH0
Properties
Complexity:
115
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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