Home Halogens Butanoic acid, 3-bromo-3-methyl-, methyl ester

Butanoic acid, 3-bromo-3-methyl-, methyl ester

CAS No.:
1309885-34-4
Catalog Number:
AG000V7C
Molecular Formula:
C6H11BrO2
Molecular Weight:
195.0543
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Product Description
Catalog Number:
AG000V7C
Chemical Name:
Butanoic acid, 3-bromo-3-methyl-, methyl ester
CAS Number:
1309885-34-4
Molecular Formula:
C6H11BrO2
Molecular Weight:
195.0543
MDL Number:
MFCD28145736
IUPAC Name:
methyl 3-bromo-3-methylbutanoate
InChI:
InChI=1S/C6H11BrO2/c1-6(2,7)4-5(8)9-3/h4H2,1-3H3
InChI Key:
FUIQPTITTIPCSU-UHFFFAOYSA-N
SMILES:
COC(=O)CC(Br)(C)C
Properties
Complexity:
110  
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:
3  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties