Home Halogens 4-bromo-3,3-dimethylbutanoic acid

4-bromo-3,3-dimethylbutanoic acid

CAS No.:
854432-06-7
Catalog Number:
AG01AC76
Molecular Formula:
C6H11BrO2
Molecular Weight:
195.0543
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Product Description
Catalog Number:
AG01AC76
Chemical Name:
4-bromo-3,3-dimethylbutanoic acid
CAS Number:
854432-06-7
Molecular Formula:
C6H11BrO2
Molecular Weight:
195.0543
MDL Number:
MFCD20625256
IUPAC Name:
4-bromo-3,3-dimethylbutanoic acid
InChI:
InChI=1S/C6H11BrO2/c1-6(2,4-7)3-5(8)9/h3-4H2,1-2H3,(H,8,9)
InChI Key:
OGSIWPPNFLFXOH-UHFFFAOYSA-N
SMILES:
BrCC(CC(=O)O)(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:
1  
Isotope Atom Count:
0
Molecular Weight:
195.056g/mol
Monoisotopic Mass:
193.994g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties