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1431509-30-6

1431509-30-6 | 2-(2-Bromo-2-methylpropionyloxy)-2-methylpropionic acid

CAS No: 1431509-30-6 Catalog No: AG01FL71 MDL No:

Product Description

Catalog Number:
AG01FL71
Chemical Name:
2-(2-Bromo-2-methylpropionyloxy)-2-methylpropionic acid
CAS Number:
1431509-30-6
Molecular Formula:
C8H13BrO4
Molecular Weight:
253.0904
IUPAC Name:
2-(2-bromo-2-methylpropanoyl)oxy-2-methylpropanoic acid
InChI:
InChI=1S/C8H13BrO4/c1-7(2,9)6(12)13-8(3,4)5(10)11/h1-4H3,(H,10,11)
InChI Key:
HINBZZBSDKUDPC-UHFFFAOYSA-N
SMILES:
O=C(C(Br)(C)C)OC(C(=O)O)(C)C

Properties

Complexity:
232  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
253.092g/mol
Monoisotopic Mass:
252g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  

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