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Home Aminos Methyl 3-(t-butylamino)-4-nitrobenzoate

Methyl 3-(t-butylamino)-4-nitrobenzoate

CAS No.:
1420800-35-6
Catalog Number:
AG009X84
Molecular Formula:
C12H16N2O4
Molecular Weight:
252.2664
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$100
- +
5g
98%
In Stock USA
United States
$300
- +
25g
98%
In Stock USA
United States
$900
- +
Product Description
Catalog Number:
AG009X84
Chemical Name:
Methyl 3-(t-butylamino)-4-nitrobenzoate
CAS Number:
1420800-35-6
Molecular Formula:
C12H16N2O4
Molecular Weight:
252.2664
MDL Number:
MFCD22689079
IUPAC Name:
methyl 3-(tert-butylamino)-4-nitrobenzoate
InChI:
InChI=1S/C12H16N2O4/c1-12(2,3)13-9-7-8(11(15)18-4)5-6-10(9)14(16)17/h5-7,13H,1-4H3
InChI Key:
IWZHUQWSAMFOTQ-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)NC(C)(C)C)[N+](=O)[O-]
Properties
Complexity:
319  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.111g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
252.27g/mol
Monoisotopic Mass:
252.111g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties