Home Nitros 4-nitro-N-(pyridin-2-ylmethyl)aniline

4-nitro-N-(pyridin-2-ylmethyl)aniline

CAS No.:
408365-67-3
Catalog Number:
AG019RZB
Molecular Formula:
C12H11N3O2
Molecular Weight:
229.2346
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Product Description
Catalog Number:
AG019RZB
Chemical Name:
4-nitro-N-(pyridin-2-ylmethyl)aniline
CAS Number:
408365-67-3
Molecular Formula:
C12H11N3O2
Molecular Weight:
229.2346
MDL Number:
MFCD11123226
IUPAC Name:
4-nitro-N-(pyridin-2-ylmethyl)aniline
InChI:
InChI=1S/C12H11N3O2/c16-15(17)12-6-4-10(5-7-12)14-9-11-3-1-2-8-13-11/h1-8,14H,9H2
InChI Key:
DOXSTQPPQQKJNG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)NCc1ccccn1
Properties
Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.085g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
229.239g/mol
Monoisotopic Mass:
229.085g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
70.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties