Home Halogens methyl 2-bromo-2-methylpentanoate

methyl 2-bromo-2-methylpentanoate

CAS No.:
18197-70-1
Catalog Number:
AG01AFF3
Molecular Formula:
C7H13BrO2
Molecular Weight:
209.0809
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Product Description
Catalog Number:
AG01AFF3
Chemical Name:
methyl 2-bromo-2-methylpentanoate
CAS Number:
18197-70-1
Molecular Formula:
C7H13BrO2
Molecular Weight:
209.0809
MDL Number:
MFCD25960253
IUPAC Name:
methyl 2-bromo-2-methylpentanoate
InChI:
InChI=1S/C7H13BrO2/c1-4-5-7(2,8)6(9)10-3/h4-5H2,1-3H3
InChI Key:
PVXRNWXASGBLCN-UHFFFAOYSA-N
SMILES:
CCCC(C(=O)OC)(Br)C
Properties
Complexity:
125  
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:
4  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties