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39149-80-9 | tert-Butyl 2-bromopropanoate
CAS No: 39149-80-9 Catalog No: AG00336V MDL No:MFCD00043897
Product Description
Catalog Number:
AG00336V
Chemical Name:
tert-Butyl 2-bromopropanoate
CAS Number:
39149-80-9
Molecular Formula:
C7H13BrO2
Molecular Weight:
209.0809
MDL Number:
MFCD00043897
IUPAC Name:
tert-butyl 2-bromopropanoate
InChI:
InChI=1S/C7H13BrO2/c1-5(8)6(9)10-7(2,3)4/h5H,1-4H3
InChI Key:
CVAWKJKISIPBOD-UHFFFAOYSA-N
SMILES:
O=C(C(Br)C)OC(C)(C)C
EC Number:
675-664-3
Properties
Complexity:
126
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:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| General method for determination of the activation, deactivation, and initiation rate constants in transition metal-catalyzed atom transfer radical processes. | Journal of the American Chemical Society 20020717 |
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