Home Halogens beta-bromoisovaleric acid

beta-bromoisovaleric acid

CAS No.:
5798-88-9
Catalog Number:
AG00EP5D
Molecular Formula:
C5H9BrO2
Molecular Weight:
181.0278
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Product Description
Catalog Number:
AG00EP5D
Chemical Name:
beta-bromoisovaleric acid
CAS Number:
5798-88-9
Molecular Formula:
C5H9BrO2
Molecular Weight:
181.0278
MDL Number:
MFCD20638573
IUPAC Name:
3-bromo-3-methylbutanoic acid
InChI:
InChI=1S/C5H9BrO2/c1-5(2,6)3-4(7)8/h3H2,1-2H3,(H,7,8)
InChI Key:
IEVAKUCVZWTRHQ-UHFFFAOYSA-N
SMILES:
OC(=O)CC(Br)(C)C
UNII:
YG702AHZ0D
Properties
Complexity:
98.6  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.979g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
181.029g/mol
Monoisotopic Mass:
179.979g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties