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Home Aminos Methyl 4-(methylamino)-3-nitrobenzoate

Methyl 4-(methylamino)-3-nitrobenzoate

CAS No.:
36242-50-9
Catalog Number:
AG00CISQ
Molecular Formula:
C9H10N2O4
Molecular Weight:
210.1867
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$38
- +
5g
98%
In Stock USA
United States
$113
- +
10g
98%
In Stock USA
United States
$182
- +
25g
98%
In Stock USA
United States
$363
- +
Product Description
Catalog Number:
AG00CISQ
Chemical Name:
Methyl 4-(methylamino)-3-nitrobenzoate
CAS Number:
36242-50-9
Molecular Formula:
C9H10N2O4
Molecular Weight:
210.1867
MDL Number:
MFCD09862450
IUPAC Name:
methyl 4-(methylamino)-3-nitrobenzoate
InChI:
InChI=1S/C9H10N2O4/c1-10-7-4-3-6(9(12)15-2)5-8(7)11(13)14/h3-5,10H,1-2H3
InChI Key:
RUJMPEWZLDVEAV-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)[N+](=O)[O-])NC
Properties
Complexity:
251  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.064g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
210.189g/mol
Monoisotopic Mass:
210.064g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Literature
Title Journal
Ligand based virtual screening and biological evaluation of inhibitors of chorismate mutase (Rv1885c) from Mycobacterium tuberculosis H37Rv. Bioorganic & medicinal chemistry letters 20070601
Properties