Benzoic acid, 3-chloro-5-methyl-


Chemical Name: Benzoic acid, 3-chloro-5-methyl-
CAS Number: 56961-33-2
Product Number: AG0033O5(AGN-PC-00NH5L)
Synonyms:
MDL No: MFCD11007823
Molecular Formula: C8H7ClO2
Molecular Weight: 170.5930

Identification/Properties


Properties
MP:
290-293 °C
BP:
298℃
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
170.592g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
170.013g/mol
Monoisotopic Mass:
170.013g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
158
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


NMR Spectrum


Other Analytical Data


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