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

Methyl 4-(benzylamino)-3-nitrobenzoate

CAS No.:
68502-46-5
Catalog Number:
AG00FGYY
Molecular Formula:
C15H14N2O4
Molecular Weight:
286.2827
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$100
- +
5g
96%
In Stock USA
United States
$300
- +
25g
96%
In Stock USA
United States
$1050
- +
Product Description
Catalog Number:
AG00FGYY
Chemical Name:
Methyl 4-(benzylamino)-3-nitrobenzoate
CAS Number:
68502-46-5
Molecular Formula:
C15H14N2O4
Molecular Weight:
286.2827
MDL Number:
MFCD09862452
IUPAC Name:
methyl 4-(benzylamino)-3-nitrobenzoate
InChI:
InChI=1S/C15H14N2O4/c1-21-15(18)12-7-8-13(14(9-12)17(19)20)16-10-11-5-3-2-4-6-11/h2-9,16H,10H2,1H3
InChI Key:
BNMKQLDYASAJKI-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)[N+](=O)[O-])NCc1ccccc1
Properties
Complexity:
363  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.095g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
286.287g/mol
Monoisotopic Mass:
286.095g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Properties