Home Halogens 3-amino-4-chloro-5-methoxybenzoic acid hydrochloride

3-amino-4-chloro-5-methoxybenzoic acid hydrochloride

CAS No.:
2138518-29-1
Catalog Number:
AG01ELNM
Molecular Formula:
C8H9Cl2NO3
Molecular Weight:
238.0680
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Product Description
Catalog Number:
AG01ELNM
Chemical Name:
3-amino-4-chloro-5-methoxybenzoic acid hydrochloride
CAS Number:
2138518-29-1
Molecular Formula:
C8H9Cl2NO3
Molecular Weight:
238.0680
MDL Number:
MFCD31559027
IUPAC Name:
3-amino-4-chloro-5-methoxybenzoic acid;hydrochloride
InChI:
InChI=1S/C8H8ClNO3.ClH/c1-13-6-3-4(8(11)12)2-5(10)7(6)9;/h2-3H,10H2,1H3,(H,11,12);1H
InChI Key:
LUQOPFPGGLKLHM-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1Cl)N)C(=O)O.Cl
Properties
Complexity:
200  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.996g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
238.064g/mol
Monoisotopic Mass:
236.996g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties