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1440-82-0 | Butanoic acid, 2-bromo-, 2,6-dimethoxyphenyl ester
CAS No: 1440-82-0 Catalog No: AG001IS1 MDL No:
Product Description
Catalog Number:
AG001IS1
Chemical Name:
Butanoic acid, 2-bromo-, 2,6-dimethoxyphenyl ester
CAS Number:
1440-82-0
Molecular Formula:
C12H15BrO4
Molecular Weight:
303.1491
IUPAC Name:
(2,6-dimethoxyphenyl) 2-bromobutanoate
InChI:
InChI=1S/C12H15BrO4/c1-4-8(13)12(14)17-11-9(15-2)6-5-7-10(11)16-3/h5-8H,4H2,1-3H3
InChI Key:
SMDSHHLBPUPGTD-UHFFFAOYSA-N
SMILES:
CCC(C(=O)Oc1c(OC)cccc1OC)Br
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.015g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.152g/mol
Monoisotopic Mass:
302.015g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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