Benzoic acid, 4-chloro-3-methoxy-, methyl ester


Chemical Name: Benzoic acid, 4-chloro-3-methoxy-, methyl ester
CAS Number: 116022-18-5
Product Number: AG000BEQ(AGN-PC-079T71)
Synonyms:
MDL No:
Molecular Formula: C9H9ClO3
Molecular Weight: 200.6190

Identification/Properties


Computed Properties
Molecular Weight:
200.618g/mol
XLogP3:
2.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
200.024g/mol
Monoisotopic Mass:
200.024g/mol
Topological Polar Surface Area:
35.5A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
184
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

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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