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114489-97-3 | Propanoic acid, 2-bromo-, butyl ester, (2S)-
CAS No: 114489-97-3 Catalog No: AG000EJI MDL No:
Product Description
Catalog Number:
AG000EJI
Chemical Name:
Propanoic acid, 2-bromo-, butyl ester, (2S)-
CAS Number:
114489-97-3
Molecular Formula:
C7H13BrO2
Molecular Weight:
209.0809
IUPAC Name:
butyl 2-bromopropanoate
InChI:
InChI=1S/C7H13BrO2/c1-3-4-5-10-7(9)6(2)8/h6H,3-5H2,1-2H3
InChI Key:
INMAEXGIVZJYIJ-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)[C@@H](Br)C
EC Number:
255-241-6
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:
2.6
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