Home Halogens 2-bromobutyl acetate

2-bromobutyl acetate

CAS No.:
13333-04-5
Catalog Number:
AG01BABM
Molecular Formula:
C6H11BrO2
Molecular Weight:
195.0543
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Product Description
Catalog Number:
AG01BABM
Chemical Name:
2-bromobutyl acetate
CAS Number:
13333-04-5
Molecular Formula:
C6H11BrO2
Molecular Weight:
195.0543
MDL Number:
MFCD20626738
IUPAC Name:
2-bromobutyl acetate
InChI:
InChI=1S/C6H11BrO2/c1-3-6(7)4-9-5(2)8/h6H,3-4H2,1-2H3
InChI Key:
GURAWRUJYKNGQZ-UHFFFAOYSA-N
SMILES:
CCC(COC(=O)C)Br
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:
1.8  
Properties