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30365-54-9 | Propanoic acid, 2-bromo-, ethyl ester, (2S)-
CAS No: 30365-54-9 Catalog No: AG002ZVY MDL No:
Product Description
Catalog Number:
AG002ZVY
Chemical Name:
Propanoic acid, 2-bromo-, ethyl ester, (2S)-
CAS Number:
30365-54-9
Molecular Formula:
C5H9BrO2
Molecular Weight:
181.0278
IUPAC Name:
ethyl (2S)-2-bromopropanoate
InChI:
InChI=1S/C5H9BrO2/c1-3-8-5(7)4(2)6/h4H,3H2,1-2H3/t4-/m0/s1
InChI Key:
ARFLASKVLJTEJD-BYPYZUCNSA-N
SMILES:
CCOC(=O)[C@@H](Br)C
UNII:
814Q14L3IE
Properties
Complexity:
82.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
179.979g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.029g/mol
Monoisotopic Mass:
179.979g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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