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125213-57-2 | Hexanoic acid, 6-bromo-2-methyl-, (2S)-
CAS No: 125213-57-2 Catalog No: AG000NCR MDL No:
Product Description
Catalog Number:
AG000NCR
Chemical Name:
Hexanoic acid, 6-bromo-2-methyl-, (2S)-
CAS Number:
125213-57-2
Molecular Formula:
C7H13BrO2
Molecular Weight:
209.0809
IUPAC Name:
(2S)-6-bromo-2-methylhexanoic acid
InChI:
InChI=1S/C7H13BrO2/c1-6(7(9)10)4-2-3-5-8/h6H,2-5H2,1H3,(H,9,10)/t6-/m0/s1
InChI Key:
IPKFFYBHMDNBSC-LURJTMIESA-N
SMILES:
BrCCCC[C@@H](C(=O)O)C
Properties
Complexity:
104
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
1
Isotope Atom Count:
0
Molecular Weight:
209.083g/mol
Monoisotopic Mass:
208.01g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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