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137888-50-7 | Acetic acid, 2-(acetyloxy)-2-bromo-, methyl ester
CAS No: 137888-50-7 Catalog No: AG001412 MDL No:
Product Description
Catalog Number:
AG001412
Chemical Name:
Acetic acid, 2-(acetyloxy)-2-bromo-, methyl ester
CAS Number:
137888-50-7
Molecular Formula:
C5H7BrO4
Molecular Weight:
211.0107
IUPAC Name:
methyl 2-acetyloxy-2-bromoacetate
InChI:
InChI=1S/C5H7BrO4/c1-3(7)10-4(6)5(8)9-2/h4H,1-2H3
InChI Key:
VQQRFEGNSGSXHY-UHFFFAOYSA-N
SMILES:
COC(=O)C(OC(=O)C)Br
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.953g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.011g/mol
Monoisotopic Mass:
209.953g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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