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156750-11-7 | 1,3-Benzenedicarboxylic acid, 5-(bromomethyl)-, 1,3-diethyl ester
CAS No: 156750-11-7 Catalog No: AG001OYH MDL No:
Product Description
Catalog Number:
AG001OYH
Chemical Name:
1,3-Benzenedicarboxylic acid, 5-(bromomethyl)-, 1,3-diethyl ester
CAS Number:
156750-11-7
Molecular Formula:
C13H15BrO4
Molecular Weight:
315.1598
IUPAC Name:
diethyl 5-(bromomethyl)benzene-1,3-dicarboxylate
InChI:
InChI=1S/C13H15BrO4/c1-3-17-12(15)10-5-9(8-14)6-11(7-10)13(16)18-4-2/h5-7H,3-4,8H2,1-2H3
InChI Key:
ILAPNOZLUVIFOS-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(CBr)cc(c1)C(=O)OCC
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.015g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.163g/mol
Monoisotopic Mass:
314.015g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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