Home Halogens Benzoic acid, 3-chloro-4,5-dimethoxy-

Benzoic acid, 3-chloro-4,5-dimethoxy-

CAS No.:
20624-87-7
Catalog Number:
AG002IDC
Molecular Formula:
C9H9ClO4
Molecular Weight:
216.6184
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Product Description
Catalog Number:
AG002IDC
Chemical Name:
Benzoic acid, 3-chloro-4,5-dimethoxy-
CAS Number:
20624-87-7
Molecular Formula:
C9H9ClO4
Molecular Weight:
216.6184
MDL Number:
MFCD05263734
IUPAC Name:
3-chloro-4,5-dimethoxybenzoic acid
InChI:
InChI=1S/C9H9ClO4/c1-13-7-4-5(9(11)12)3-6(10)8(7)14-2/h3-4H,1-2H3,(H,11,12)
InChI Key:
WUBQRSNEXSSLFX-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1OC)Cl)C(=O)O
NSC Number:
45932
Properties
Complexity:
209  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.019g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
216.617g/mol
Monoisotopic Mass:
216.019g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties