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13280-85-8 | Acetic acid, 2,2-dibromo-2-cyano-, ethyl ester
CAS No: 13280-85-8 Catalog No: AG00117A MDL No:
Product Description
Catalog Number:
AG00117A
Chemical Name:
Acetic acid, 2,2-dibromo-2-cyano-, ethyl ester
CAS Number:
13280-85-8
Molecular Formula:
C5H5Br2NO2
Molecular Weight:
270.9067
IUPAC Name:
ethyl 2,2-dibromo-2-cyanoacetate
InChI:
InChI=1S/C5H5Br2NO2/c1-2-10-4(9)5(6,7)3-8/h2H2,1H3
InChI Key:
NXDLNBVIZDKQSO-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C#N)(Br)Br
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.867g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.908g/mol
Monoisotopic Mass:
268.869g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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