Home Aminos 4-[(butan-2-yl)amino]-3-nitrobenzamide

4-[(butan-2-yl)amino]-3-nitrobenzamide

CAS No.:
852385-66-1
Catalog Number:
AG01B5CB
Molecular Formula:
C11H15N3O3
Molecular Weight:
237.2551
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Product Description
Catalog Number:
AG01B5CB
Chemical Name:
4-[(butan-2-yl)amino]-3-nitrobenzamide
CAS Number:
852385-66-1
Molecular Formula:
C11H15N3O3
Molecular Weight:
237.2551
MDL Number:
MFCD06672852
IUPAC Name:
4-(butan-2-ylamino)-3-nitrobenzamide
InChI:
InChI=1S/C11H15N3O3/c1-3-7(2)13-9-5-4-8(11(12)15)6-10(9)14(16)17/h4-7,13H,3H2,1-2H3,(H2,12,15)
InChI Key:
HXSPTRBMKFDKOS-UHFFFAOYSA-N
SMILES:
CCC(Nc1ccc(cc1[N+](=O)[O-])C(=O)N)C
Properties
Complexity:
290  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.111g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
237.259g/mol
Monoisotopic Mass:
237.111g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties