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Home > Nitro Compounds > 287114-27-6

287114-27-6

287114-27-6 | 1H-1,4-Diazepine, hexahydro-1-(5-nitro-2-pyridinyl)-

CAS No: 287114-27-6 Catalog No: AG002W7U MDL No:MFCD01311911

Product Description

Catalog Number:
AG002W7U
Chemical Name:
1H-1,4-Diazepine, hexahydro-1-(5-nitro-2-pyridinyl)-
CAS Number:
287114-27-6
Molecular Formula:
C10H14N4O2
Molecular Weight:
222.2438
MDL Number:
MFCD01311911
IUPAC Name:
1-(5-nitropyridin-2-yl)-1,4-diazepane
InChI:
InChI=1S/C10H14N4O2/c15-14(16)9-2-3-10(12-8-9)13-6-1-4-11-5-7-13/h2-3,8,11H,1,4-7H2
InChI Key:
HVIKXFXKZFWDTQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(nc1)N1CCNCCC1

Properties

Complexity:
244  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.112g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
222.248g/mol
Monoisotopic Mass:
222.112g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
74A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  

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