Home Halogens Benzoic acid, 4-amino-5-chloro-2-hydroxy-, methyl ester

Benzoic acid, 4-amino-5-chloro-2-hydroxy-, methyl ester

CAS No.:
129511-06-4
Catalog Number:
AG0072NT
Molecular Formula:
C8H8ClNO3
Molecular Weight:
201.6070
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG0072NT
Chemical Name:
Benzoic acid, 4-amino-5-chloro-2-hydroxy-, methyl ester
CAS Number:
129511-06-4
Molecular Formula:
C8H8ClNO3
Molecular Weight:
201.6070
MDL Number:
MFCD24387293
IUPAC Name:
methyl 4-amino-5-chloro-2-hydroxybenzoate
InChI:
InChI=1S/C8H8ClNO3/c1-13-8(12)4-2-5(9)6(10)3-7(4)11/h2-3,11H,10H2,1H3
InChI Key:
SXMFZXQWMHJMOH-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Cl)c(cc1O)N
Properties
Complexity:
200  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.019g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
201.606g/mol
Monoisotopic Mass:
201.019g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties