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13686-34-5 | Acetic acid, 2,2,2-tribromo-, 2-propen-1-yl ester
CAS No: 13686-34-5 Catalog No: AG0012HS MDL No:
Product Description
Catalog Number:
AG0012HS
Chemical Name:
Acetic acid, 2,2,2-tribromo-, 2-propen-1-yl ester
CAS Number:
13686-34-5
Molecular Formula:
C5H5Br3O2
Molecular Weight:
336.8040
IUPAC Name:
prop-2-enyl 2,2,2-tribromoacetate
InChI:
InChI=1S/C5H5Br3O2/c1-2-3-10-4(9)5(6,7)8/h2H,1,3H2
InChI Key:
ZXNKJDAAUQGEPD-UHFFFAOYSA-N
SMILES:
C=CCOC(=O)C(Br)(Br)Br
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.782g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
336.805g/mol
Monoisotopic Mass:
333.784g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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