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114438-64-1 | Hexanoic acid, 2-bromo-, methyl ester, (2S)-
CAS No: 114438-64-1 Catalog No: AG000EE2 MDL No:
Product Description
Catalog Number:
AG000EE2
Chemical Name:
Hexanoic acid, 2-bromo-, methyl ester, (2S)-
CAS Number:
114438-64-1
Molecular Formula:
C7H13BrO2
Molecular Weight:
209.0809
IUPAC Name:
methyl 2-bromohexanoate
InChI:
InChI=1S/C7H13BrO2/c1-3-4-5-6(8)7(9)10-2/h6H,3-5H2,1-2H3
InChI Key:
YGLPDRIMFIXNBI-UHFFFAOYSA-N
SMILES:
CCCC[C@@H](C(=O)OC)Br
EC Number:
226-643-9
NSC Number:
21976
Properties
Complexity:
104
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.01g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.083g/mol
Monoisotopic Mass:
208.01g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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