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101001-73-4 | Acetic acid, 2-bromo-, 2,2-dimethylpropyl ester
CAS No: 101001-73-4 Catalog No: AG0003H4 MDL No:
Product Description
Catalog Number:
AG0003H4
Chemical Name:
Acetic acid, 2-bromo-, 2,2-dimethylpropyl ester
CAS Number:
101001-73-4
Molecular Formula:
C7H13BrO2
Molecular Weight:
209.0809
IUPAC Name:
2,2-dimethylpropyl 2-bromoacetate
InChI:
InChI=1S/C7H13BrO2/c1-7(2,3)5-10-6(9)4-8/h4-5H2,1-3H3
InChI Key:
YMFWXAPAYFRXMT-UHFFFAOYSA-N
SMILES:
BrCC(=O)OCC(C)(C)C
Properties
Complexity:
115
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.01g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.083g/mol
Monoisotopic Mass:
208.01g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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