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28456-82-8 | Propanoic acid, 2-bromo-, hexyl ester
CAS No: 28456-82-8 Catalog No: AG002VCN MDL No:
Product Description
Catalog Number:
AG002VCN
Chemical Name:
Propanoic acid, 2-bromo-, hexyl ester
CAS Number:
28456-82-8
Molecular Formula:
C9H17BrO2
Molecular Weight:
237.1341
IUPAC Name:
hexyl 2-bromopropanoate
InChI:
InChI=1S/C9H17BrO2/c1-3-4-5-6-7-12-9(11)8(2)10/h8H,3-7H2,1-2H3
InChI Key:
CVIVDRZPZOBMDR-UHFFFAOYSA-N
SMILES:
CCCCCCOC(=O)C(Br)C
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.041g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.137g/mol
Monoisotopic Mass:
236.041g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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