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10259-96-8 | Propanoic acid, 2-bromo-, propyl ester
CAS No: 10259-96-8 Catalog No: AG0007VD MDL No:
Product Description
Catalog Number:
AG0007VD
Chemical Name:
Propanoic acid, 2-bromo-, propyl ester
CAS Number:
10259-96-8
Molecular Formula:
C6H11BrO2
Molecular Weight:
195.0543
IUPAC Name:
propyl 2-bromopropanoate
InChI:
InChI=1S/C6H11BrO2/c1-3-4-9-6(8)5(2)7/h5H,3-4H2,1-2H3
InChI Key:
GDPGCHFFZZXKTQ-UHFFFAOYSA-N
SMILES:
CCCOC(=O)C(Br)C
Properties
Complexity:
93.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.994g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.056g/mol
Monoisotopic Mass:
193.994g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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