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197293-71-3 | 1,3-Benzodioxole-4-carboxylic acid, 5-(bromomethyl)-, ethyl ester
CAS No: 197293-71-3 Catalog No: AG002AQ5 MDL No:
Product Description
Catalog Number:
AG002AQ5
Chemical Name:
1,3-Benzodioxole-4-carboxylic acid, 5-(bromomethyl)-, ethyl ester
CAS Number:
197293-71-3
Molecular Formula:
C11H11BrO4
Molecular Weight:
287.1066
IUPAC Name:
ethyl 5-(bromomethyl)-1,3-benzodioxole-4-carboxylate
InChI:
InChI=1S/C11H11BrO4/c1-2-14-11(13)9-7(5-12)3-4-8-10(9)16-6-15-8/h3-4H,2,5-6H2,1H3
InChI Key:
DJUWSQFISSJQJR-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(CBr)ccc2c1OCO2
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.984g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.109g/mol
Monoisotopic Mass:
285.984g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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