Benzoic acid, 2-chloro-5-methoxy-, methyl ester


Chemical Name: Benzoic acid, 2-chloro-5-methoxy-, methyl ester
CAS Number: 54810-63-8
Product Number: AG003RND(AGN-PC-072IF3)
Synonyms:
MDL No: MFCD12913365
Molecular Formula: C9H9ClO3
Molecular Weight: 200.6190

Identification/Properties


Properties
BP:
277.0±20.0°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Liquid
Computed Properties
Molecular Weight:
200.618g/mol
XLogP3:
3.4
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#:
N/A
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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