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87343-49-5 | 1,3-Benzenedicarboxylic acid, chloromethyl phenylmethyl ester
CAS No: 87343-49-5 Catalog No: AG004O2S MDL No:
Product Description
Catalog Number:
AG004O2S
Chemical Name:
1,3-Benzenedicarboxylic acid, chloromethyl phenylmethyl ester
CAS Number:
87343-49-5
Molecular Formula:
C16H13ClO4
Molecular Weight:
304.7250
IUPAC Name:
1-O-benzyl 3-O-(chloromethyl) benzene-1,3-dicarboxylate
InChI:
InChI=1S/C16H13ClO4/c17-11-21-16(19)14-8-4-7-13(9-14)15(18)20-10-12-5-2-1-3-6-12/h1-9H,10-11H2
InChI Key:
FCUNMUNAMSUASV-UHFFFAOYSA-N
SMILES:
ClCOC(=O)c1cccc(c1)C(=O)OCc1ccccc1
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.05g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.726g/mol
Monoisotopic Mass:
304.05g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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