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140410-08-8 | 1,3-Benzenedicarboxylic acid, 4,6-bis(bromomethyl)-, 1,3-diethyl ester
CAS No: 140410-08-8 Catalog No: AG001CD8 MDL No:
Product Description
Catalog Number:
AG001CD8
Chemical Name:
1,3-Benzenedicarboxylic acid, 4,6-bis(bromomethyl)-, 1,3-diethyl ester
CAS Number:
140410-08-8
Molecular Formula:
C14H16Br2O4
Molecular Weight:
408.0824
IUPAC Name:
diethyl 4,6-bis(bromomethyl)benzene-1,3-dicarboxylate
InChI:
InChI=1S/C14H16Br2O4/c1-3-19-13(17)11-6-12(14(18)20-4-2)10(8-16)5-9(11)7-15/h5-6H,3-4,7-8H2,1-2H3
InChI Key:
XHUVTUVNEZGRPO-UHFFFAOYSA-N
SMILES:
BrCc1cc(CBr)c(cc1C(=O)OCC)C(=O)OCC
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
407.939g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
408.086g/mol
Monoisotopic Mass:
405.942g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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