Home Halogens 5-chloro-4-methoxy-2-methylbenzoic acid

5-chloro-4-methoxy-2-methylbenzoic acid

CAS No.:
109803-47-6
Catalog Number:
AG01AD0Z
Molecular Formula:
C9H9ClO3
Molecular Weight:
200.6190
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Product Description
Catalog Number:
AG01AD0Z
Chemical Name:
5-chloro-4-methoxy-2-methylbenzoic acid
CAS Number:
109803-47-6
Molecular Formula:
C9H9ClO3
Molecular Weight:
200.6190
MDL Number:
MFCD21882471
IUPAC Name:
5-chloro-4-methoxy-2-methylbenzoic acid
InChI:
InChI=1S/C9H9ClO3/c1-5-3-8(13-2)7(10)4-6(5)9(11)12/h3-4H,1-2H3,(H,11,12)
InChI Key:
AHFTWOUIHLEZHE-UHFFFAOYSA-N
SMILES:
COc1cc(C)c(cc1Cl)C(=O)O
Properties
Complexity:
195  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.024g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
200.618g/mol
Monoisotopic Mass:
200.024g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties