1,4-Benzenedicarboxylic acid, 2-chloro-, 1-methyl ester


Chemical Name: 1,4-Benzenedicarboxylic acid, 2-chloro-, 1-methyl ester
CAS Number: 55737-77-4
Product Number: AG0038NE(AGN-PC-037XW7)
Synonyms:
MDL No:
Molecular Formula: C9H7ClO4
Molecular Weight: 214.6025

Identification/Properties


Computed Properties
Molecular Weight:
214.601g/mol
XLogP3:
3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
214.003g/mol
Monoisotopic Mass:
214.003g/mol
Topological Polar Surface Area:
63.6A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
241
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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