Home Halogens Benzoic acid, 4,5-dichloro-2-methoxy-

Benzoic acid, 4,5-dichloro-2-methoxy-

CAS No.:
201150-65-4
Catalog Number:
AG002D8I
Molecular Formula:
C8H6Cl2O3
Molecular Weight:
221.0374
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Product Description
Catalog Number:
AG002D8I
Chemical Name:
Benzoic acid, 4,5-dichloro-2-methoxy-
CAS Number:
201150-65-4
Molecular Formula:
C8H6Cl2O3
Molecular Weight:
221.0374
MDL Number:
MFCD11045611
IUPAC Name:
4,5-dichloro-2-methoxybenzoic acid
InChI:
InChI=1S/C8H6Cl2O3/c1-13-7-3-6(10)5(9)2-4(7)8(11)12/h2-3H,1H3,(H,11,12)
InChI Key:
WBFXTOLYBVHEHR-UHFFFAOYSA-N
SMILES:
COc1cc(Cl)c(cc1C(=O)O)Cl
Properties
Complexity:
198  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.969g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
221.033g/mol
Monoisotopic Mass:
219.969g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties