Home Halogens Methyl 2-amino-4-chlorobenzoate

Methyl 2-amino-4-chlorobenzoate

CAS No.:
5900-58-3
Catalog Number:
AG003GF1
Molecular Formula:
C8H8ClNO2
Molecular Weight:
185.6076
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$44
- +
100g
98%
In Stock USA
United States
$119
- +
500g
98%
In Stock USA
United States
$525
- +
Product Description
Catalog Number:
AG003GF1
Chemical Name:
Methyl 2-amino-4-chlorobenzoate
CAS Number:
5900-58-3
Molecular Formula:
C8H8ClNO2
Molecular Weight:
185.6076
MDL Number:
MFCD00017568
IUPAC Name:
methyl 2-amino-4-chlorobenzoate
InChI:
InChI=1S/C8H8ClNO2/c1-12-8(11)6-3-2-5(9)4-7(6)10/h2-4H,10H2,1H3
InChI Key:
YPSSCICDVDOEAI-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1N)Cl
EC Number:
227-593-0
NSC Number:
400871
Properties
Complexity:
174  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.024g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
185.607g/mol
Monoisotopic Mass:
185.024g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Literature
Title Journal
Binding or bending: distinction of allosteric Abl kinase agonists from antagonists by an NMR-based conformational assay. Journal of the American Chemical Society 20100526
Properties