Home Halogens 2-amino-3-chloro-4,6-dimethoxybenzoic acid

2-amino-3-chloro-4,6-dimethoxybenzoic acid

CAS No.:
1164251-94-8
Catalog Number:
AG01ELLB
Molecular Formula:
C9H10ClNO4
Molecular Weight:
231.6330
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Product Description
Catalog Number:
AG01ELLB
Chemical Name:
2-amino-3-chloro-4,6-dimethoxybenzoic acid
CAS Number:
1164251-94-8
Molecular Formula:
C9H10ClNO4
Molecular Weight:
231.6330
MDL Number:
MFCD31665871
IUPAC Name:
2-amino-3-chloro-4,6-dimethoxybenzoic acid
InChI:
InChI=1S/C9H10ClNO4/c1-14-4-3-5(15-2)7(10)8(11)6(4)9(12)13/h3H,11H2,1-2H3,(H,12,13)
InChI Key:
YFNWCKDEWLHZNY-UHFFFAOYSA-N
SMILES:
COc1cc(OC)c(c(c1C(=O)O)N)Cl
Properties
Complexity:
238  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.03g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
231.632g/mol
Monoisotopic Mass:
231.03g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
81.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties