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121669-92-9 | Acetic acid, 2-bromo-, 1-ethoxyethyl ester
CAS No: 121669-92-9 Catalog No: AG0015JD MDL No:
Product Description
Catalog Number:
AG0015JD
Chemical Name:
Acetic acid, 2-bromo-, 1-ethoxyethyl ester
CAS Number:
121669-92-9
Molecular Formula:
C6H11BrO3
Molecular Weight:
211.0537
IUPAC Name:
1-ethoxyethyl 2-bromoacetate
InChI:
InChI=1S/C6H11BrO3/c1-3-9-5(2)10-6(8)4-7/h5H,3-4H2,1-2H3
InChI Key:
ZAYWKTJZACHOOZ-UHFFFAOYSA-N
SMILES:
CCOC(OC(=O)CBr)C
Properties
Complexity:
105
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.989g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.055g/mol
Monoisotopic Mass:
209.989g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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