Home Nitros 2-(1,4-diazepan-1-yl)-5-nitro-1H-1,3-benzodiazole dihydrochloride

2-(1,4-diazepan-1-yl)-5-nitro-1H-1,3-benzodiazole dihydrochloride

CAS No.:
1461707-26-5
Catalog Number:
AG01A6S5
Molecular Formula:
C12H17Cl2N5O2
Molecular Weight:
334.2017
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01A6S5
Chemical Name:
2-(1,4-diazepan-1-yl)-5-nitro-1H-1,3-benzodiazole dihydrochloride
CAS Number:
1461707-26-5
Molecular Formula:
C12H17Cl2N5O2
Molecular Weight:
334.2017
MDL Number:
MFCD25970414
IUPAC Name:
2-(1,4-diazepan-1-yl)-6-nitro-1H-benzimidazole;dihydrochloride
InChI:
InChI=1S/C12H15N5O2.2ClH/c18-17(19)9-2-3-10-11(8-9)15-12(14-10)16-6-1-4-13-5-7-16;;/h2-3,8,13H,1,4-7H2,(H,14,15);2*1H
InChI Key:
ANDBPBXQFKOQHI-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)nc([nH]2)N1CCNCCC1.Cl.Cl
Properties
Complexity:
335  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.076g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
334.201g/mol
Monoisotopic Mass:
333.076g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
89.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties