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Home > Nitro Compounds > 1421102-83-1
1421102-83-1 | 2-(1,4-diazepan-1-yl)-5-nitro-1H-1,3-benzodiazole
CAS No: 1421102-83-1 Catalog No: AG01AEYH MDL No:MFCD22920655
Product Description
Catalog Number:
AG01AEYH
Chemical Name:
2-(1,4-diazepan-1-yl)-5-nitro-1H-1,3-benzodiazole
CAS Number:
1421102-83-1
Molecular Formula:
C12H15N5O2
Molecular Weight:
261.2798
MDL Number:
MFCD22920655
IUPAC Name:
2-(1,4-diazepan-1-yl)-6-nitro-1H-benzimidazole
InChI:
InChI=1S/C12H15N5O2/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)
InChI Key:
ILUQVFHONGBQLT-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)nc([nH]2)N1CCNCCC1
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.123g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
261.285g/mol
Monoisotopic Mass:
261.123g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
89.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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