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113966-05-5 | Propanoic acid, 2,2-dimethyl-, 2,2-dibromoethenyl ester
CAS No: 113966-05-5 Catalog No: AG000A6H MDL No:
Product Description
Catalog Number:
AG000A6H
Chemical Name:
Propanoic acid, 2,2-dimethyl-, 2,2-dibromoethenyl ester
CAS Number:
113966-05-5
Molecular Formula:
C7H10Br2O2
Molecular Weight:
285.9611
IUPAC Name:
2,2-dibromoethenyl 2,2-dimethylpropanoate
InChI:
InChI=1S/C7H10Br2O2/c1-7(2,3)6(10)11-4-5(8)9/h4H,1-3H3
InChI Key:
JNOMBMHFBQXPKP-UHFFFAOYSA-N
SMILES:
O=C(C(C)(C)C)OC=C(Br)Br
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.903g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.963g/mol
Monoisotopic Mass:
283.905g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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