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75458-65-0 | 2-methyl-5-(4-methylpiperazin-1-yl)-4,6-dinitro-1h-benzimidazole
CAS No: 75458-65-0 Catalog No: AG005X7Y MDL No:
Product Description
Catalog Number:
AG005X7Y
Chemical Name:
2-methyl-5-(4-methylpiperazin-1-yl)-4,6-dinitro-1h-benzimidazole
CAS Number:
75458-65-0
Molecular Formula:
C13H16N6O4
Molecular Weight:
320.3039
IUPAC Name:
3,14-dimethyl-5-thia-10,14-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),3,7,11(16)-pentaene
InChI:
InChI=1S/C15H16N2S/c1-9-8-18-13-4-3-12-15(14(9)13)10-7-17(2)6-5-11(10)16-12/h3-4,8,16H,5-7H2,1-2H3
InChI Key:
GMIILPOVBUNJBY-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)c1c(cc2c(c1[N+](=O)[O-])nc([nH]2)C)[N+](=O)[O-]
UNII:
B255B0J51N
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.103g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.367g/mol
Monoisotopic Mass:
256.103g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
47.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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