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72766-37-1 | N-METHYL-4,6-DINITRO-1H-BENZOIMIDAZOL-5-AMINE
CAS No: 72766-37-1 Catalog No: AG005F1C MDL No:
Product Description
Catalog Number:
AG005F1C
Chemical Name:
N-METHYL-4,6-DINITRO-1H-BENZOIMIDAZOL-5-AMINE
CAS Number:
72766-37-1
Molecular Formula:
C8H7N5O4
Molecular Weight:
237.1723
IUPAC Name:
N-methyl-4,6-dinitro-1H-benzimidazol-5-amine
InChI:
InChI=1S/C8H7N5O4/c1-9-7-5(12(14)15)2-4-6(11-3-10-4)8(7)13(16)17/h2-3,9H,1H3,(H,10,11)
InChI Key:
FETWFLSLQGIUBV-UHFFFAOYSA-N
SMILES:
CNc1c(cc2c(c1[N+](=O)[O-])nc[nH]2)[N+](=O)[O-]
NSC Number:
291086
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.05g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
237.175g/mol
Monoisotopic Mass:
237.05g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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