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69713-21-9 | Acetic acid, dibromo-, 1,1-dimethylethyl ester
CAS No: 69713-21-9 Catalog No: AG005ISG MDL No:
Product Description
Catalog Number:
AG005ISG
Chemical Name:
Acetic acid, dibromo-, 1,1-dimethylethyl ester
CAS Number:
69713-21-9
Molecular Formula:
C6H10Br2O2
Molecular Weight:
273.9504
IUPAC Name:
tert-butyl 2,2-dibromoacetate
InChI:
InChI=1S/C6H10Br2O2/c1-6(2,3)10-5(9)4(7)8/h4H,1-3H3
InChI Key:
WVNZGIJOOOHIPU-UHFFFAOYSA-N
SMILES:
BrC(C(=O)OC(C)(C)C)Br
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.903g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.952g/mol
Monoisotopic Mass:
271.905g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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