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Home Halogens Methyl 2-amino-5-chlorobenzoate

Methyl 2-amino-5-chlorobenzoate

CAS No.:
5202-89-1
Catalog Number:
AG003580
Molecular Formula:
C8H8ClNO2
Molecular Weight:
185.6076
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$13
- +
5g
95%
In Stock USA
United States
$15
- +
25g
98%
In Stock USA
United States
$50
- +
100g
98%
In Stock USA
United States
$138
- +
500g
98%
In Stock USA
United States
$525
- +
Product Description
Catalog Number:
AG003580
Chemical Name:
Methyl 2-amino-5-chlorobenzoate
CAS Number:
5202-89-1
Molecular Formula:
C8H8ClNO2
Molecular Weight:
185.6076
MDL Number:
MFCD00007837
IUPAC Name:
methyl 2-amino-5-chlorobenzoate
InChI:
InChI=1S/C8H8ClNO2/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4H,10H2,1H3
InChI Key:
IGHVUURTQGBABT-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Cl)ccc1N
EC Number:
225-992-4
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
Methyl 4-(3-chloro-prop-oxy)benzoate. Acta crystallographica. Section E, Structure reports online 20110501
Methyl 2-amino-5-chloro-benzoate. Acta crystallographica. Section E, Structure reports online 20101101
Prediction of genotoxicity of chemical compounds by statistical learning methods. Chemical research in toxicology 20050601
Properties