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100463-97-6

100463-97-6 | Acetic acid, 2-(2-bromoethoxy)-, methyl ester

CAS No: 100463-97-6 Catalog No: AG00022C MDL No:

Product Description

Catalog Number:
AG00022C
Chemical Name:
Acetic acid, 2-(2-bromoethoxy)-, methyl ester
CAS Number:
100463-97-6
Molecular Formula:
C5H9BrO3
Molecular Weight:
197.0272
IUPAC Name:
methyl 2-(2-bromoethoxy)acetate
InChI:
InChI=1S/C5H9BrO3/c1-8-5(7)4-9-3-2-6/h2-4H2,1H3
InChI Key:
UYGQPSYYFHEMIZ-UHFFFAOYSA-N
SMILES:
COC(=O)COCCBr

Properties

Complexity:
84.3  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.974g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.028g/mol
Monoisotopic Mass:
195.974g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  

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