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Home > Bromides > 1261455-37-1
1261455-37-1 | Benzenepropanoic acid, 2-bromo-6-chloro-, ethyl ester
CAS No: 1261455-37-1 Catalog No: AG000RR3 MDL No:
Product Description
Catalog Number:
AG000RR3
Chemical Name:
Benzenepropanoic acid, 2-bromo-6-chloro-, ethyl ester
CAS Number:
1261455-37-1
Molecular Formula:
C11H12BrClO2
Molecular Weight:
291.5688
IUPAC Name:
ethyl 3-(2-bromo-6-chlorophenyl)propanoate
InChI:
InChI=1S/C11H12BrClO2/c1-2-15-11(14)7-6-8-9(12)4-3-5-10(8)13/h3-5H,2,6-7H2,1H3
InChI Key:
XMFNGBZSFDBVGV-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCc1c(Cl)cccc1Br
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.971g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.569g/mol
Monoisotopic Mass:
289.971g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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